5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C274H195F44N53O53S — CID 161132128

IUPAC5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESC=C1Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2N1Cc1c(C)noc1C.C[C@@H](Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21)c1ncccn1.C[C@H](Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21)c1ncccn1.Cc1cc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)no1.Cc1cc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)on1.Cc1nc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)co1.Cc1nc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)no1.Cc1nnc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)o1.Cc1nnc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)s1.Cc1noc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)n1.Cc1occc1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.Cn1cc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)cn1.Cn1cnc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)n1.Cn1nccc1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=C(Cn1c(=O)oc2ccc(-c3ccc(OC(F)F)cc3)cc21)N1CCCC1
InChIInChI=1S/2C20H15F3N4O3.C20H16F3N3O3.C20H18F2N2O4.C19H13F3N2O4.2C18H13F3N4O3.3C18H12F3N3O4.C17H12F3N5O3.3C17H11F3N4O4.C17H11F3N4O3S/c2*1-12(17-24-9-2-10-25-17)11-27-18-16(29-19(27)28)8-7-15(26-18)13-3-5-14(6-4-13)30-20(21,22)23;1-11-16(12(2)29-25-11)10-26-13(3)27-18-9-8-17(24-19(18)26)14-4-6-15(7-5-14)28-20(21,22)23;21-19(22)27-15-6-3-13(4-7-15)14-5-8-17-16(11-14)24(20(26)28-17)12-18(25)23-9-1-2-10-23;1-11-13(8-9-26-11)10-24-17-16(27-18(24)25)7-6-15(23-17)12-2-4-14(5-3-12)28-19(20,21)22;1-24-9-11(8-22-24)10-25-16-15(27-17(25)26)7-6-14(23-16)12-2-4-13(5-3-12)28-18(19,20)21;1-24-12(8-9-22-24)10-25-16-15(27-17(25)26)7-6-14(23-16)11-2-4-13(5-3-11)28-18(19,20)21;1-10-22-12(9-26-10)8-24-16-15(27-17(24)25)7-6-14(23-16)11-2-4-13(5-3-11)28-18(19,20)21;1-10-8-12(23-28-10)9-24-16-15(26-17(24)25)7-6-14(22-16)11-2-4-13(5-3-11)27-18(19,20)21;1-10-8-13(28-23-10)9-24-16-15(26-17(24)25)7-6-14(22-16)11-2-4-12(5-3-11)27-18(19,20)21;1-24-9-21-14(23-24)8-25-15-13(27-16(25)26)7-6-12(22-15)10-2-4-11(5-3-10)28-17(18,19)20;1-9-22-23-14(26-9)8-24-15-13(27-16(24)25)7-6-12(21-15)10-2-4-11(5-3-10)28-17(18,19)20;1-9-21-14(23-28-9)8-24-15-13(26-16(24)25)7-6-12(22-15)10-2-4-11(5-3-10)27-17(18,19)20;1-9-21-14(28-23-9)8-24-15-13(26-16(24)25)7-6-12(22-15)10-2-4-11(5-3-10)27-17(18,19)20;1-9-22-23-14(28-9)8-24-15-13(26-16(24)25)7-6-12(21-15)10-2-4-11(5-3-10)27-17(18,19)20/h2*2-10,12H,11H2,1H3;4-9H,3,10H2,1-2H3;3-8,11,19H,1-2,9-10,12H2;3*2-9H,10H2,1H3;2-7,9H,8H2,1H3;2*2-8H,9H2,1H3;2-7,9H,8H2,1H3;4*2-7H,8H2,1H3/t2*12-;;;;;;;;;;;;;/m10............./s1
InChIKeyUMIGCUXOYOELSV-GHNGLIFGSA-N
MW5945.87 g/mol
LogP56.16
Rot. Bonds63

About 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 161132128) has the molecular formula C274H195F44N53O53S and a molecular weight of 5945.87 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID161132128
Molecular FormulaC274H195F44N53O53S
Molecular Weight5945.87 g/mol
Exact Mass5942.32
IUPAC Name5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESC=C1Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2N1Cc1c(C)noc1C.C[C@@H](Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21)c1ncccn1.C[C@H](Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21)c1ncccn1.Cc1cc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)no1.Cc1cc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)on1.Cc1nc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)co1.Cc1nc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)no1.Cc1nnc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)o1.Cc1nnc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)s1.Cc1noc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)n1.Cc1occc1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.Cn1cc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)cn1.Cn1cnc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)n1.Cn1nccc1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=C(Cn1c(=O)oc2ccc(-c3ccc(OC(F)F)cc3)cc21)N1CCCC1
InChIInChI=1S/2C20H15F3N4O3.C20H16F3N3O3.C20H18F2N2O4.C19H13F3N2O4.2C18H13F3N4O3.3C18H12F3N3O4.C17H12F3N5O3.3C17H11F3N4O4.C17H11F3N4O3S/c2*1-12(17-24-9-2-10-25-17)11-27-18-16(29-19(27)28)8-7-15(26-18)13-3-5-14(6-4-13)30-20(21,22)23;1-11-16(12(2)29-25-11)10-26-13(3)27-18-9-8-17(24-19(18)26)14-4-6-15(7-5-14)28-20(21,22)23;21-19(22)27-15-6-3-13(4-7-15)14-5-8-17-16(11-14)24(20(26)28-17)12-18(25)23-9-1-2-10-23;1-11-13(8-9-26-11)10-24-17-16(27-18(24)25)7-6-15(23-17)12-2-4-14(5-3-12)28-19(20,21)22;1-24-9-11(8-22-24)10-25-16-15(27-17(25)26)7-6-14(23-16)12-2-4-13(5-3-12)28-18(19,20)21;1-24-12(8-9-22-24)10-25-16-15(27-17(25)26)7-6-14(23-16)11-2-4-13(5-3-11)28-18(19,20)21;1-10-22-12(9-26-10)8-24-16-15(27-17(24)25)7-6-14(23-16)11-2-4-13(5-3-11)28-18(19,20)21;1-10-8-12(23-28-10)9-24-16-15(26-17(24)25)7-6-14(22-16)11-2-4-13(5-3-11)27-18(19,20)21;1-10-8-13(28-23-10)9-24-16-15(26-17(24)25)7-6-14(22-16)11-2-4-12(5-3-11)27-18(19,20)21;1-24-9-21-14(23-24)8-25-15-13(27-16(25)26)7-6-12(22-15)10-2-4-11(5-3-10)28-17(18,19)20;1-9-22-23-14(26-9)8-24-15-13(27-16(24)25)7-6-12(21-15)10-2-4-11(5-3-10)28-17(18,19)20;1-9-21-14(23-28-9)8-24-15-13(26-16(24)25)7-6-12(22-15)10-2-4-11(5-3-10)27-17(18,19)20;1-9-21-14(28-23-9)8-24-15-13(26-16(24)25)7-6-12(22-15)10-2-4-11(5-3-10)27-17(18,19)20;1-9-22-23-14(28-9)8-24-15-13(26-16(24)25)7-6-12(21-15)10-2-4-11(5-3-10)27-17(18,19)20/h2*2-10,12H,11H2,1H3;4-9H,3,10H2,1-2H3;3-8,11,19H,1-2,9-10,12H2;3*2-9H,10H2,1H3;2-7,9H,8H2,1H3;2*2-8H,9H2,1H3;2-7,9H,8H2,1H3;4*2-7H,8H2,1H3/t2*12-;;;;;;;;;;;;;/m10............./s1
InChIKeyUMIGCUXOYOELSV-GHNGLIFGSA-N
XLogP56.16
TPSA1221.36 Ų
H-Bond Donors
H-Bond Acceptors106
Rotatable Bonds63
Heavy Atoms425
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005945.87
LogP ≤ 556.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 10106

Analyze 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 161132128) is 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is C=C1Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2N1Cc1c(C)noc1C.C[C@@H](Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21)c1ncccn1.C[C@H](Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21)c1ncccn1.Cc1cc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)no1.Cc1cc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)on1.Cc1nc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)co1.Cc1nc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)no1.Cc1nnc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)o1.Cc1nnc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)s1.Cc1noc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)n1.Cc1occc1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.Cn1cc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)cn1.Cn1cnc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)n1.Cn1nccc1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=C(Cn1c(=O)oc2ccc(-c3ccc(OC(F)F)cc3)cc21)N1CCCC1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is UMIGCUXOYOELSV-GHNGLIFGSA-N. The full InChI is InChI=1S/2C20H15F3N4O3.C20H16F3N3O3.C20H18F2N2O4.C19H13F3N2O4.2C18H13F3N4O3.3C18H12F3N3O4.C17H12F3N5O3.3C17H11F3N4O4.C17H11F3N4O3S/c2*1-12(17-24-9-2-10-25-17)11-27-18-16(29-19(27)28)8-7-15(26-18)13-3-5-14(6-4-13)30-20(21,22)23;1-11-16(12(2)29-25-11)10-26-13(3)27-18-9-8-17(24-19(18)26)14-4-6-15(7-5-14)28-20(21,22)23;21-19(22)27-15-6-3-13(4-7-15)14-5-8-17-16(11-14)24(20(26)28-17)12-18(25)23-9-1-2-10-23;1-11-13(8-9-26-11)10-24-17-16(27-18(24)25)7-6-15(23-17)12-2-4-14(5-3-12)28-19(20,21)22;1-24-9-11(8-22-24)10-25-16-15(27-17(25)26)7-6-14(23-16)12-2-4-13(5-3-12)28-18(19,20)21;1-24-12(8-9-22-24)10-25-16-15(27-17(25)26)7-6-14(23-16)11-2-4-13(5-3-11)28-18(19,20)21;1-10-22-12(9-26-10)8-24-16-15(27-17(24)25)7-6-14(23-16)11-2-4-13(5-3-11)28-18(19,20)21;1-10-8-12(23-28-10)9-24-16-15(26-17(24)25)7-6-14(22-16)11-2-4-13(5-3-11)27-18(19,20)21;1-10-8-13(28-23-10)9-24-16-15(26-17(24)25)7-6-14(22-16)11-2-4-12(5-3-11)27-18(19,20)21;1-24-9-21-14(23-24)8-25-15-13(27-16(25)26)7-6-12(22-15)10-2-4-11(5-3-10)28-17(18,19)20;1-9-22-23-14(26-9)8-24-15-13(27-16(24)25)7-6-12(21-15)10-2-4-11(5-3-10)28-17(18,19)20;1-9-21-14(23-28-9)8-24-15-13(26-16(24)25)7-6-12(22-15)10-2-4-11(5-3-10)27-17(18,19)20;1-9-21-14(28-23-9)8-24-15-13(26-16(24)25)7-6-12(22-15)10-2-4-11(5-3-10)27-17(18,19)20;1-9-22-23-14(28-9)8-24-15-13(26-16(24)25)7-6-12(21-15)10-2-4-11(5-3-10)27-17(18,19)20/h2*2-10,12H,11H2,1H3;4-9H,3,10H2,1-2H3;3-8,11,19H,1-2,9-10,12H2;3*2-9H,10H2,1H3;2-7,9H,8H2,1H3;2*2-8H,9H2,1H3;2-7,9H,8H2,1H3;4*2-7H,8H2,1H3/t2*12-;;;;;;;;;;;;;/m10............./s1.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 5945.87 g/mol, XLogP of 56.16, 63 rotatable bonds, 0 hydrogen bond donors, and 106 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-one;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[(2-methylfuran-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2-methylpyrazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2R)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 161132128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).