3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C139H113F25N16O26 — CID 158545314

IUPAC3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESC=C1Oc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)cc2N1CC.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)cc21.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=c1oc2ncc(-c3ccc(OC(F)(F)F)cc3)cc2n1CCc1ncccn1.[2H]C([2H])(C)C([2H])([2H])n1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.[2H]C([2H])([2H])N1C(=C)Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21
InChIInChI=1S/C19H13F3N4O3.2C18H15F3N2O4.2C18H16F3NO4.C17H14F4N2O2.C16H13F3N2O3.C15H11F3N2O2/c20-19(21,22)29-14-4-2-12(3-5-14)13-10-15-17(25-11-13)28-18(27)26(15)9-6-16-23-7-1-8-24-16;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;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;1-2-9-21-14-13(23-15(21)22)8-7-12(20-14)10-3-5-11(6-4-10)24-16(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/h1-5,7-8,10-11H,6,9H2;2*1-6,11H,7-10H2;2*2-7,10-11,23H,8-9H2,1H3;4-8H,2-3,9H2,1H3;3-8H,2,9H2,1H3;3-8H,1H2,2H3/t;4*11-;;;/m.1010.../s1/i;;;;;;2D2,9D2;2D3
InChIKeyHPAOYPZQPQKFJZ-UVNOMUGKSA-N
MW2905.51 g/mol
LogP31.06
Rot. Bonds34

About 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-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-[(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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 158545314) has the molecular formula C139H113F25N16O26 and a molecular weight of 2905.51 g/mol. Its IUPAC name is 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID158545314
Molecular FormulaC139H113F25N16O26
Molecular Weight2905.51 g/mol
Exact Mass2903.81
IUPAC Name3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESC=C1Oc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)cc2N1CC.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)cc21.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=c1oc2ncc(-c3ccc(OC(F)(F)F)cc3)cc2n1CCc1ncccn1.[2H]C([2H])(C)C([2H])([2H])n1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.[2H]C([2H])([2H])N1C(=C)Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21
InChIInChI=1S/C19H13F3N4O3.2C18H15F3N2O4.2C18H16F3NO4.C17H14F4N2O2.C16H13F3N2O3.C15H11F3N2O2/c20-19(21,22)29-14-4-2-12(3-5-14)13-10-15-17(25-11-13)28-18(27)26(15)9-6-16-23-7-1-8-24-16;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;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;1-2-9-21-14-13(23-15(21)22)8-7-12(20-14)10-3-5-11(6-4-10)24-16(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/h1-5,7-8,10-11H,6,9H2;2*1-6,11H,7-10H2;2*2-7,10-11,23H,8-9H2,1H3;4-8H,2-3,9H2,1H3;3-8H,2,9H2,1H3;3-8H,1H2,2H3/t;4*11-;;;/m.1010.../s1/i;;;;;;2D2,9D2;2D3
InChIKeyHPAOYPZQPQKFJZ-UVNOMUGKSA-N
XLogP31.06
TPSA471.66 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds34
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002905.51
LogP ≤ 531.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

Analyze 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-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
1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(fluoromethyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;1-[(2S)-2-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 157127164
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
3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-[(2S)-1-methoxypropan-2-yl]oxy-1H-isoindole;(3S,4S)-4-(dimethylamino)-1-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;(3S,4S)-4-methoxy-1-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol;7-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;4-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine;5-[6-[6-[(2S)-1-methoxypropan-2-yl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 157675197

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 158545314) is 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-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.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)cc21.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=c1oc2ncc(-c3ccc(OC(F)(F)F)cc3)cc2n1CCc1ncccn1.[2H]C([2H])(C)C([2H])([2H])n1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.[2H]C([2H])([2H])N1C(=C)Oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.
What is the InChIKey of 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is HPAOYPZQPQKFJZ-UVNOMUGKSA-N. The full InChI is InChI=1S/C19H13F3N4O3.2C18H15F3N2O4.2C18H16F3NO4.C17H14F4N2O2.C16H13F3N2O3.C15H11F3N2O2/c20-19(21,22)29-14-4-2-12(3-5-14)13-10-15-17(25-11-13)28-18(27)26(15)9-6-16-23-7-1-8-24-16;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;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;1-2-9-21-14-13(23-15(21)22)8-7-12(20-14)10-3-5-11(6-4-10)24-16(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/h1-5,7-8,10-11H,6,9H2;2*1-6,11H,7-10H2;2*2-7,10-11,23H,8-9H2,1H3;4-8H,2-3,9H2,1H3;3-8H,2,9H2,1H3;3-8H,1H2,2H3/t;4*11-;;;/m.1010.../s1/i;;;;;;2D2,9D2;2D3.
What are the key properties of 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-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-[(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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 2905.51 g/mol, XLogP of 31.06, 34 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylidene-1,3-benzoxazole;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;2-methylidene-3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;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;1-(2-pyrimidin-2-ylethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;3-(1,1,2,2-tetradeuteriopropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 158545314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).