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

C32H26ClF2N3O2 — CID 68693948

IUPAC1-(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
SMILESCc1cc(Cl)cc(C)c1-n1cc(-c2nc([C@H]3Cc4ccccc4CN3C)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C32H26ClF2N3O2/c1-18-12-23(33)13-19(2)30(18)38-17-22(8-11-28(38)39)29-31(25-10-9-24(34)15-26(25)35)40-32(36-29)27-14-20-6-4-5-7-21(20)16-37(27)3/h4-13,15,17,27H,14,16H2,1-3H3/t27-/m1/s1
InChIKeyUYBJOCTYYXVZGL-HHHXNRCGSA-N
MW558.03 g/mol
LogP7.44
Rot. Bonds4

About 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

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 (PubChem CID 68693948) has the molecular formula C32H26ClF2N3O2 and a molecular weight of 558.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID68693948
Molecular FormulaC32H26ClF2N3O2
Molecular Weight558.03 g/mol
Exact Mass557.17
IUPAC Name1-(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
SMILESCc1cc(Cl)cc(C)c1-n1cc(-c2nc([C@H]3Cc4ccccc4CN3C)oc2-c2ccc(F)cc2F)ccc1=O
InChIInChI=1S/C32H26ClF2N3O2/c1-18-12-23(33)13-19(2)30(18)38-17-22(8-11-28(38)39)29-31(25-10-9-24(34)15-26(25)35)40-32(36-29)27-14-20-6-4-5-7-21(20)16-37(27)3/h4-13,15,17,27H,14,16H2,1-3H3/t27-/m1/s1
InChIKeyUYBJOCTYYXVZGL-HHHXNRCGSA-N
XLogP7.44
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.03
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-[(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-(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-(1,3-thiazolidin-4-yl)-1,3-oxazol-4-yl]pyridin-2-one
CID 66670345
5-[5-(2,4-difluorophenyl)-2-(4-oxocyclohexyl)-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 67254588
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-(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)-1,2-dihydroxypropan-2-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 67253911
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-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 68688804
5-[5-(2,4-difluorophenyl)-2-[(3S)-piperidin-3-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 11691162
5-[5-(2,4-difluorophenyl)-2-(4-morpholin-4-ylcyclohexyl)-1,3-oxazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
CID 68691228

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Cl)cc(C)c1-n1cc(-c2nc([C@H]3Cc4ccccc4CN3C)oc2-c2ccc(F)cc2F)ccc1=O.
What is the InChIKey of 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?
The InChIKey is UYBJOCTYYXVZGL-HHHXNRCGSA-N. The full InChI is InChI=1S/C32H26ClF2N3O2/c1-18-12-23(33)13-19(2)30(18)38-17-22(8-11-28(38)39)29-31(25-10-9-24(34)15-26(25)35)40-32(36-29)27-14-20-6-4-5-7-21(20)16-37(27)3/h4-13,15,17,27H,14,16H2,1-3H3/t27-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 558.03 g/mol, XLogP of 7.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 68693948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).