3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C157H132F27N19O27 — CID 157381794

IUPAC3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESC=C1Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2N1C.C=C1Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2N1C(C)C.C=C1Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2N1CC.C=C1Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2N1CC(=O)N1CCCC1.C=C1Oc2ncc(-c3ccc(OC(F)(F)F)cc3)cc2N1C(C)C.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCCO1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCOC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@@H]1CCOC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@H]1CCOC1
InChIInChI=1S/C20H18F3N3O3.4C18H15F3N2O4.2C17H15F3N2O2.C16H13F3N2O2.C15H11F3N2O2/c1-13-26(12-18(27)25-10-2-3-11-25)19-17(28-13)9-8-16(24-19)14-4-6-15(7-5-14)29-20(21,22)23;3*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)27-12-5-3-11(4-6-12)14-7-8-15-16(22-14)23(17(24)26-15)10-13-2-1-9-25-13;1-10(2)22-11(3)23-16-15(22)8-13(9-21-16)12-4-6-14(7-5-12)24-17(18,19)20;1-10(2)22-11(3)23-15-9-8-14(21-16(15)22)12-4-6-13(7-5-12)24-17(18,19)20;1-3-21-10(2)22-14-9-8-13(20-15(14)21)11-4-6-12(7-5-11)23-16(17,18)19;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/h4-9H,1-3,10-12H2;3*1-6,11H,7-10H2;3-8,13H,1-2,9-10H2;2*4-10H,3H2,1-2H3;4-9H,2-3H2,1H3;3-8H,1H2,2H3/t;2*11-;;;;;;/m.10....../s1
InChIKeyBKYXMBHONSIDMU-DSIIRVGXSA-N
MW3229.83 g/mol
LogP36.18
Rot. Bonds31

About 3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 157381794) has the molecular formula C157H132F27N19O27 and a molecular weight of 3229.83 g/mol. Its IUPAC name is 3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID157381794
Molecular FormulaC157H132F27N19O27
Molecular Weight3229.83 g/mol
Exact Mass3227.91
IUPAC Name3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESC=C1Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2N1C.C=C1Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2N1C(C)C.C=C1Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2N1CC.C=C1Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2N1CC(=O)N1CCCC1.C=C1Oc2ncc(-c3ccc(OC(F)(F)F)cc3)cc2N1C(C)C.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCCO1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCOC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@@H]1CCOC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@H]1CCOC1
InChIInChI=1S/C20H18F3N3O3.4C18H15F3N2O4.2C17H15F3N2O2.C16H13F3N2O2.C15H11F3N2O2/c1-13-26(12-18(27)25-10-2-3-11-25)19-17(28-13)9-8-16(24-19)14-4-6-15(7-5-14)29-20(21,22)23;3*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)27-12-5-3-11(4-6-12)14-7-8-15-16(22-14)23(17(24)26-15)10-13-2-1-9-25-13;1-10(2)22-11(3)23-16-15(22)8-13(9-21-16)12-4-6-14(7-5-12)24-17(18,19)20;1-10(2)22-11(3)23-15-9-8-14(21-16(15)22)12-4-6-13(7-5-12)24-17(18,19)20;1-3-21-10(2)22-14-9-8-13(20-15(14)21)11-4-6-12(7-5-11)23-16(17,18)19;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/h4-9H,1-3,10-12H2;3*1-6,11H,7-10H2;3-8,13H,1-2,9-10H2;2*4-10H,3H2,1-2H3;4-9H,2-3H2,1H3;3-8H,1H2,2H3/t;2*11-;;;;;;/m.10....../s1
InChIKeyBKYXMBHONSIDMU-DSIIRVGXSA-N
XLogP36.18
TPSA459.22 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds31
Heavy Atoms230
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003229.83
LogP ≤ 536.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Analyze 3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-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-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 157381794) is 3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is C=C1Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2N1C.C=C1Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2N1C(C)C.C=C1Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2N1CC.C=C1Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2N1CC(=O)N1CCCC1.C=C1Oc2ncc(-c3ccc(OC(F)(F)F)cc3)cc2N1C(C)C.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCCO1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCOC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@@H]1CCOC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@H]1CCOC1.
What is the InChIKey of 3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is BKYXMBHONSIDMU-DSIIRVGXSA-N. The full InChI is InChI=1S/C20H18F3N3O3.4C18H15F3N2O4.2C17H15F3N2O2.C16H13F3N2O2.C15H11F3N2O2/c1-13-26(12-18(27)25-10-2-3-11-25)19-17(28-13)9-8-16(24-19)14-4-6-15(7-5-14)29-20(21,22)23;3*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)27-12-5-3-11(4-6-12)14-7-8-15-16(22-14)23(17(24)26-15)10-13-2-1-9-25-13;1-10(2)22-11(3)23-16-15(22)8-13(9-21-16)12-4-6-14(7-5-12)24-17(18,19)20;1-10(2)22-11(3)23-15-9-8-14(21-16(15)22)12-4-6-13(7-5-12)24-17(18,19)20;1-3-21-10(2)22-14-9-8-13(20-15(14)21)11-4-6-12(7-5-11)23-16(17,18)19;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/h4-9H,1-3,10-12H2;3*1-6,11H,7-10H2;3-8,13H,1-2,9-10H2;2*4-10H,3H2,1-2H3;4-9H,2-3H2,1H3;3-8H,1H2,2H3/t;2*11-;;;;;;/m.10....../s1.
What are the key properties of 3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 3229.83 g/mol, XLogP of 36.18, 31 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 157381794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).