3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C289H241F51N30O55 — CID 157118357

IUPAC3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESC=C1Oc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)cc2N1CC.CC(=O)N1CC[C@H](Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)C1.CC1(F)C[C@@H]1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.CC1(F)C[C@H]1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.C[C@@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.C[C@@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.C[C@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.C[C@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1C[C@@H]1CCCO1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1C[C@H]1CCCO1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCCCC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@@H]1CCOC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@H]1CCOC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cncnc1.[2H]C([2H])([2H])N1C(=C)Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21
InChIInChI=1S/C21H19F3N2O4.C20H19F3N2O3.2C19H16F3NO4.2C18H14F4N2O3.C18H11F3N4O3.2C18H15F3N2O4.C18H15F3N2O3.2C18H16F3NO4.C17H14F4N2O2.2C17H15F3N2O4.C15H11F3N2O2/c1-13(27)25-9-8-14(11-25)12-26-18-10-16(4-7-19(18)29-20(26)28)15-2-5-17(6-3-15)30-21(22,23)24;21-20(22,23)28-15-8-6-14(7-9-15)16-10-11-17-18(24-16)25(19(26)27-17)12-13-4-2-1-3-5-13;2*20-19(21,22)27-14-6-3-12(4-7-14)13-5-8-17-16(10-13)23(18(24)26-17)11-15-2-1-9-25-15;2*1-17(19)8-11(17)9-24-15-14(26-16(24)25)7-6-13(23-15)10-2-4-12(5-3-10)27-18(20,21)22;19-18(20,21)28-13-3-1-12(2-4-13)14-5-6-15-16(24-14)25(17(26)27-15)9-11-7-22-10-23-8-11;2*19-18(20,21)27-13-3-1-12(2-4-13)14-5-6-15-16(22-14)23(17(24)26-15)9-11-7-8-25-10-11;19-18(20,21)26-13-6-4-12(5-7-13)14-8-9-15-16(22-14)23(17(24)25-15)10-11-2-1-3-11;2*1-11(23)8-9-22-15-10-13(4-7-16(15)25-17(22)24)12-2-5-14(6-3-12)26-18(19,20)21;1-3-23-10(2)25-15-5-4-11(7-14(15)23)12-6-13(18)16(22-8-12)24-9-17(19,20)21;2*1-10(23)8-9-22-15-14(25-16(22)24)7-6-13(21-15)11-2-4-12(5-3-11)26-17(18,19)20;1-9-20(2)14-13(21-9)8-7-12(19-14)10-3-5-11(6-4-10)22-15(16,17)18/h2-7,10,14H,8-9,11-12H2,1H3;6-11,13H,1-5,12H2;2*3-8,10,15H,1-2,9,11H2;2*2-7,11H,8-9H2,1H3;1-8,10H,9H2;2*1-6,11H,7-10H2;4-9,11H,1-3,10H2;2*2-7,10-11,23H,8-9H2,1H3;4-8H,2-3,9H2,1H3;2*2-7,10,23H,8-9H2,1H3;3-8H,1H2,2H3/t14-;;2*15-;2*11-,17?;;2*11-;;2*11-;;2*10-;/m0.1010.10.10.10./s1/i;;;;;;;;;;;;;;;2D3
InChIKeyAHQZPDMPSWPIIK-HSBXXXETSA-N
MW5986.18 g/mol
LogP64.36
Rot. Bonds67

About 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 157118357) has the molecular formula C289H241F51N30O55 and a molecular weight of 5986.18 g/mol. Its IUPAC name is 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID157118357
Molecular FormulaC289H241F51N30O55
Molecular Weight5986.18 g/mol
Exact Mass5982.64
IUPAC Name3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESC=C1Oc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)cc2N1CC.CC(=O)N1CC[C@H](Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)C1.CC1(F)C[C@@H]1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.CC1(F)C[C@H]1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.C[C@@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.C[C@@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.C[C@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.C[C@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1C[C@@H]1CCCO1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1C[C@H]1CCCO1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCCCC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@@H]1CCOC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@H]1CCOC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cncnc1.[2H]C([2H])([2H])N1C(=C)Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21
InChIInChI=1S/C21H19F3N2O4.C20H19F3N2O3.2C19H16F3NO4.2C18H14F4N2O3.C18H11F3N4O3.2C18H15F3N2O4.C18H15F3N2O3.2C18H16F3NO4.C17H14F4N2O2.2C17H15F3N2O4.C15H11F3N2O2/c1-13(27)25-9-8-14(11-25)12-26-18-10-16(4-7-19(18)29-20(26)28)15-2-5-17(6-3-15)30-21(22,23)24;21-20(22,23)28-15-8-6-14(7-9-15)16-10-11-17-18(24-16)25(19(26)27-17)12-13-4-2-1-3-5-13;2*20-19(21,22)27-14-6-3-12(4-7-14)13-5-8-17-16(10-13)23(18(24)26-17)11-15-2-1-9-25-15;2*1-17(19)8-11(17)9-24-15-14(26-16(24)25)7-6-13(23-15)10-2-4-12(5-3-10)27-18(20,21)22;19-18(20,21)28-13-3-1-12(2-4-13)14-5-6-15-16(24-14)25(17(26)27-15)9-11-7-22-10-23-8-11;2*19-18(20,21)27-13-3-1-12(2-4-13)14-5-6-15-16(22-14)23(17(24)26-15)9-11-7-8-25-10-11;19-18(20,21)26-13-6-4-12(5-7-13)14-8-9-15-16(22-14)23(17(24)25-15)10-11-2-1-3-11;2*1-11(23)8-9-22-15-10-13(4-7-16(15)25-17(22)24)12-2-5-14(6-3-12)26-18(19,20)21;1-3-23-10(2)25-15-5-4-11(7-14(15)23)12-6-13(18)16(22-8-12)24-9-17(19,20)21;2*1-10(23)8-9-22-15-14(25-16(22)24)7-6-13(21-15)11-2-4-12(5-3-11)26-17(18,19)20;1-9-20(2)14-13(21-9)8-7-12(19-14)10-3-5-11(6-4-10)22-15(16,17)18/h2-7,10,14H,8-9,11-12H2,1H3;6-11,13H,1-5,12H2;2*3-8,10,15H,1-2,9,11H2;2*2-7,11H,8-9H2,1H3;1-8,10H,9H2;2*1-6,11H,7-10H2;4-9,11H,1-3,10H2;2*2-7,10-11,23H,8-9H2,1H3;4-8H,2-3,9H2,1H3;2*2-7,10,23H,8-9H2,1H3;3-8H,1H2,2H3/t14-;;2*15-;2*11-,17?;;2*11-;;2*11-;;2*10-;/m0.1010.10.10.10./s1/i;;;;;;;;;;;;;;;2D3
InChIKeyAHQZPDMPSWPIIK-HSBXXXETSA-N
XLogP64.36
TPSA970.30 Ų
H-Bond Donors4
H-Bond Acceptors84
Rotatable Bonds67
Heavy Atoms425
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005986.18
LogP ≤ 564.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1084

Analyze 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-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 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 157118357) is 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is C=C1Oc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)cc2N1CC.CC(=O)N1CC[C@H](Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)C1.CC1(F)C[C@@H]1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.CC1(F)C[C@H]1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.C[C@@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.C[C@@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.C[C@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.C[C@H](O)CCn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1C[C@@H]1CCCO1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1C[C@H]1CCCO1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCCCC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@@H]1CCOC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@H]1CCOC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cncnc1.[2H]C([2H])([2H])N1C(=C)Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.
What is the InChIKey of 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is AHQZPDMPSWPIIK-HSBXXXETSA-N. The full InChI is InChI=1S/C21H19F3N2O4.C20H19F3N2O3.2C19H16F3NO4.2C18H14F4N2O3.C18H11F3N4O3.2C18H15F3N2O4.C18H15F3N2O3.2C18H16F3NO4.C17H14F4N2O2.2C17H15F3N2O4.C15H11F3N2O2/c1-13(27)25-9-8-14(11-25)12-26-18-10-16(4-7-19(18)29-20(26)28)15-2-5-17(6-3-15)30-21(22,23)24;21-20(22,23)28-15-8-6-14(7-9-15)16-10-11-17-18(24-16)25(19(26)27-17)12-13-4-2-1-3-5-13;2*20-19(21,22)27-14-6-3-12(4-7-14)13-5-8-17-16(10-13)23(18(24)26-17)11-15-2-1-9-25-15;2*1-17(19)8-11(17)9-24-15-14(26-16(24)25)7-6-13(23-15)10-2-4-12(5-3-10)27-18(20,21)22;19-18(20,21)28-13-3-1-12(2-4-13)14-5-6-15-16(24-14)25(17(26)27-15)9-11-7-22-10-23-8-11;2*19-18(20,21)27-13-3-1-12(2-4-13)14-5-6-15-16(22-14)23(17(24)26-15)9-11-7-8-25-10-11;19-18(20,21)26-13-6-4-12(5-7-13)14-8-9-15-16(22-14)23(17(24)25-15)10-11-2-1-3-11;2*1-11(23)8-9-22-15-10-13(4-7-16(15)25-17(22)24)12-2-5-14(6-3-12)26-18(19,20)21;1-3-23-10(2)25-15-5-4-11(7-14(15)23)12-6-13(18)16(22-8-12)24-9-17(19,20)21;2*1-10(23)8-9-22-15-14(25-16(22)24)7-6-13(21-15)11-2-4-12(5-3-11)26-17(18,19)20;1-9-20(2)14-13(21-9)8-7-12(19-14)10-3-5-11(6-4-10)22-15(16,17)18/h2-7,10,14H,8-9,11-12H2,1H3;6-11,13H,1-5,12H2;2*3-8,10,15H,1-2,9,11H2;2*2-7,11H,8-9H2,1H3;1-8,10H,9H2;2*1-6,11H,7-10H2;4-9,11H,1-3,10H2;2*2-7,10-11,23H,8-9H2,1H3;4-8H,2-3,9H2,1H3;2*2-7,10,23H,8-9H2,1H3;3-8H,1H2,2H3/t14-;;2*15-;2*11-,17?;;2*11-;;2*11-;;2*10-;/m0.1010.10.10.10./s1/i;;;;;;;;;;;;;;;2D3.
What are the key properties of 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 5986.18 g/mol, XLogP of 64.36, 67 rotatable bonds, 4 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(cyclobutylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(cyclohexylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;3-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[(3S)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[(3R)-3-hydroxybutyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 157118357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).