5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C118H101F19N16O26S — CID 161299067

IUPAC5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCOC[C@@H]1CCN(C(=O)Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)C1.COC[C@H]1CCN(C(=O)Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)C1.CS(=O)(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.C[C@H]1CCCN1C(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=C(Cn1c(=O)oc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)nc21)N1CCCC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CCc1ncccn1
InChIInChI=1S/2C22H21F3N2O5.C20H18F3N3O4.C19H16F4N4O4.C19H13F3N4O3.C16H12F3NO5S/c2*1-30-13-14-8-9-26(11-14)20(28)12-27-18-10-16(4-7-19(18)31-21(27)29)15-2-5-17(6-3-15)32-22(23,24)25;1-12-3-2-10-25(12)17(27)11-26-18-16(29-19(26)28)9-8-15(24-18)13-4-6-14(7-5-13)30-20(21,22)23;20-12-7-11(8-24-17(12)30-10-19(21,22)23)13-3-4-14-16(25-13)27(18(29)31-14)9-15(28)26-5-1-2-6-26;20-19(21,22)29-13-4-2-12(3-5-13)14-6-7-15-17(25-14)26(18(27)28-15)11-8-16-23-9-1-10-24-16;1-26(22,23)9-20-13-8-11(4-7-14(13)24-15(20)21)10-2-5-12(6-3-10)25-16(17,18)19/h2*2-7,10,14H,8-9,11-13H2,1H3;4-9,12H,2-3,10-11H2,1H3;3-4,7-8H,1-2,5-6,9-10H2;1-7,9-10H,8,11H2;2-8H,9H2,1H3/t2*14-;12-;;;/m100.../s1
InChIKeyVHJBCFSMZUCPEX-FXLXOXFNSA-N
MW2552.22 g/mol
LogP20.38
Rot. Bonds30

About 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 161299067) has the molecular formula C118H101F19N16O26S and a molecular weight of 2552.22 g/mol. Its IUPAC name is 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID161299067
Molecular FormulaC118H101F19N16O26S
Molecular Weight2552.22 g/mol
Exact Mass2550.65
IUPAC Name5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCOC[C@@H]1CCN(C(=O)Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)C1.COC[C@H]1CCN(C(=O)Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)C1.CS(=O)(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.C[C@H]1CCCN1C(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=C(Cn1c(=O)oc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)nc21)N1CCCC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CCc1ncccn1
InChIInChI=1S/2C22H21F3N2O5.C20H18F3N3O4.C19H16F4N4O4.C19H13F3N4O3.C16H12F3NO5S/c2*1-30-13-14-8-9-26(11-14)20(28)12-27-18-10-16(4-7-19(18)31-21(27)29)15-2-5-17(6-3-15)32-22(23,24)25;1-12-3-2-10-25(12)17(27)11-26-18-16(29-19(26)28)9-8-15(24-18)13-4-6-14(7-5-13)30-20(21,22)23;20-12-7-11(8-24-17(12)30-10-19(21,22)23)13-3-4-14-16(25-13)27(18(29)31-14)9-15(28)26-5-1-2-6-26;20-19(21,22)29-13-4-2-12(3-5-13)14-6-7-15-17(25-14)26(18(27)28-15)11-8-16-23-9-1-10-24-16;1-26(22,23)9-20-13-8-11(4-7-14(13)24-15(20)21)10-2-5-12(6-3-10)25-16(17,18)19/h2*2-7,10,14H,8-9,11-13H2,1H3;4-9,12H,2-3,10-11H2,1H3;3-4,7-8H,1-2,5-6,9-10H2;1-7,9-10H,8,11H2;2-8H,9H2,1H3/t2*14-;12-;;;/m100.../s1
InChIKeyVHJBCFSMZUCPEX-FXLXOXFNSA-N
XLogP20.38
TPSA477.40 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002552.22
LogP ≤ 520.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

5-[4-(Difluoromethoxy)phenyl]-3-(2-pyrimidin-2-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412794
CID 157118357
CID 157118357
CID 157147377
CID 157147377
3-(cyclopentylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;N-ethyl-N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;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-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one
CID 157255162
1-ethyl-2-methylidene-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;3-[[(3S)-oxan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;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
CID 157374136
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
N,N-dimethyl-2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide;N-ethyl-N-methyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-(2-fluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-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;3-(3-hydroxybutyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 157510299
1-benzyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;N,N-diethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-(2,2-difluoropropyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]benzimidazol-2-one;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;N,N-dimethyl-2-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-3-yl]acetamide;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[2,3-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[2,3-c]pyridin-2-one
CID 157515725
1-[(2S)-2-[8-amino-1-[4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[(5-methoxy-2-pyridinyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 157567699
3-butyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;N,N-dimethyl-2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide;3-(2-fluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;(2S)-4-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]butan-2-ol;(2R)-4-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]butan-2-ol;4-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]butan-2-ol;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 157651263
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157658480
1-ethyl-2-methylidene-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;3-[[(3S)-oxan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;1-(pyrimidin-2-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 157883261

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 161299067) is 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is COC[C@@H]1CCN(C(=O)Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)C1.COC[C@H]1CCN(C(=O)Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)cc32)C1.CS(=O)(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21.C[C@H]1CCCN1C(=O)Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=C(Cn1c(=O)oc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)nc21)N1CCCC1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CCc1ncccn1.
What is the InChIKey of 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is VHJBCFSMZUCPEX-FXLXOXFNSA-N. The full InChI is InChI=1S/2C22H21F3N2O5.C20H18F3N3O4.C19H16F4N4O4.C19H13F3N4O3.C16H12F3NO5S/c2*1-30-13-14-8-9-26(11-14)20(28)12-27-18-10-16(4-7-19(18)31-21(27)29)15-2-5-17(6-3-15)32-22(23,24)25;1-12-3-2-10-25(12)17(27)11-26-18-16(29-19(26)28)9-8-15(24-18)13-4-6-14(7-5-13)30-20(21,22)23;20-12-7-11(8-24-17(12)30-10-19(21,22)23)13-3-4-14-16(25-13)27(18(29)31-14)9-15(28)26-5-1-2-6-26;20-19(21,22)29-13-4-2-12(3-5-13)14-6-7-15-17(25-14)26(18(27)28-15)11-8-16-23-9-1-10-24-16;1-26(22,23)9-20-13-8-11(4-7-14(13)24-15(20)21)10-2-5-12(6-3-10)25-16(17,18)19/h2*2-7,10,14H,8-9,11-13H2,1H3;4-9,12H,2-3,10-11H2,1H3;3-4,7-8H,1-2,5-6,9-10H2;1-7,9-10H,8,11H2;2-8H,9H2,1H3/t2*14-;12-;;;/m100.../s1.
What are the key properties of 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 2552.22 g/mol, XLogP of 20.38, 30 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 161299067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).