1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one

C25H21ClF2N2O4 — CID 67253911

IUPAC1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one
SMILESCc1cc(Cl)cc(C)c1-n1cc(-c2nc([C@](C)(O)CO)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C25H21ClF2N2O4/c1-13-8-16(26)9-14(2)22(13)30-11-15(4-7-20(30)32)21-23(18-6-5-17(27)10-19(18)28)34-24(29-21)25(3,33)12-31/h4-11,31,33H,12H2,1-3H3/t25-/m1/s1
InChIKeyZJAZHKXZTVQQSI-RUZDIDTESA-N
MW486.90 g/mol
LogP4.91
Rot. Bonds5

About 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one

1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one (PubChem CID 67253911) has the molecular formula C25H21ClF2N2O4 and a molecular weight of 486.90 g/mol. Its IUPAC name is 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one
PubChem CID67253911
Molecular FormulaC25H21ClF2N2O4
Molecular Weight486.90 g/mol
Exact Mass486.12
IUPAC Name1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one
SMILESCc1cc(Cl)cc(C)c1-n1cc(-c2nc([C@](C)(O)CO)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C25H21ClF2N2O4/c1-13-8-16(26)9-14(2)22(13)30-11-15(4-7-20(30)32)21-23(18-6-5-17(27)10-19(18)28)34-24(29-21)25(3,33)12-31/h4-11,31,33H,12H2,1-3H3/t25-/m1/s1
InChIKeyZJAZHKXZTVQQSI-RUZDIDTESA-N
XLogP4.91
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.90
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one with MolForge

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Related Compounds

1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(1S)-1,2-dihydroxyethyl]-1,3-oxazol-4-yl]pyridin-2-one
CID 67254872
1-(2,6-difluorophenyl)-5-[4-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-5-yl]pyridin-2-one
CID 16666496
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-dimethoxypropan-2-yl)-1,3-oxazol-4-yl]pyridin-2-one
CID 67254733
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 67256253
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-(1,3-thiazolidin-4-yl)-1,3-oxazol-4-yl]pyridin-2-one
CID 66670345
5-[5-(2,4-difluorophenyl)-2-(1-hydroxy-2-methylpropyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
CID 67254776
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 68688110
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 68691314
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 68693948
5-[5-(2,4-difluorophenyl)-2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
CID 68691439
5-[5-(2,4-difluorophenyl)-2-(4-oxocyclohexyl)-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 67254588
3-(2,6-difluorophenyl)-5-[5-(2,4-difluorophenyl)-2-(1,2-dihydroxypropan-2-yl)-1,3-oxazol-4-yl]-1,6-dihydropyrimidin-2-one
CID 67257104

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one?
The IUPAC name of 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one (CID 67253911) is 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one is Cc1cc(Cl)cc(C)c1-n1cc(-c2nc([C@](C)(O)CO)oc2-c2ccc(F)cc2F)ccc1=O.
What is the InChIKey of 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one?
The InChIKey is ZJAZHKXZTVQQSI-RUZDIDTESA-N. The full InChI is InChI=1S/C25H21ClF2N2O4/c1-13-8-16(26)9-14(2)22(13)30-11-15(4-7-20(30)32)21-23(18-6-5-17(27)10-19(18)28)34-24(29-21)25(3,33)12-31/h4-11,31,33H,12H2,1-3H3/t25-/m1/s1.
What are the key properties of 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one?
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one has a molecular weight of 486.90 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one is sourced from PubChem (CID 67253911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).