3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide

C28H26F2N2O3 — CID 148763116

IUPAC3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide
SMILESCc1ccc(C2=NOC(C)(C(=O)N(C)C)C2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C28H26F2N2O3/c1-17-8-11-20(24-16-28(2,35-31-24)27(34)32(3)4)15-21(17)19-12-9-18(10-13-19)14-25(33)26-22(29)6-5-7-23(26)30/h5-13,15H,14,16H2,1-4H3
InChIKeyOGYBRGRGARZOHS-UHFFFAOYSA-N
MW476.52 g/mol
LogP5.34
Rot. Bonds6

About 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide

3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 148763116) has the molecular formula C28H26F2N2O3 and a molecular weight of 476.52 g/mol. Its IUPAC name is 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide
PubChem CID148763116
Molecular FormulaC28H26F2N2O3
Molecular Weight476.52 g/mol
Exact Mass476.19
IUPAC Name3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide
SMILESCc1ccc(C2=NOC(C)(C(=O)N(C)C)C2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C28H26F2N2O3/c1-17-8-11-20(24-16-28(2,35-31-24)27(34)32(3)4)15-21(17)19-12-9-18(10-13-19)14-25(33)26-22(29)6-5-7-23(26)30/h5-13,15H,14,16H2,1-4H3
InChIKeyOGYBRGRGARZOHS-UHFFFAOYSA-N
XLogP5.34
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.52
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-phenanthren-9-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 59051472
3-Fluoro-N-{[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-YL]methyl}-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
CID 45977215
3-Fluoro-N-{[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-YL]methyl}-N-{[4-(trifluoromethyl)phenyl]methyl}benzamide
CID 45977488
4-(5,5-Dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide
CID 140615787
3-[4-[5-(5,5-Dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide
CID 142715004
3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 147298380
3-[3-[4-[2-(2,6-Difluorophenyl)-2-oxoethyl]phenyl]-2-methylphenyl]-5,5-dimethyl-1,2-oxazol-4-one
CID 148430082
1-(2,6-difluorophenyl)-2-[4-[2-methyl-5-[5-methyl-5-(4-methylpiperazine-1-carbonyl)-4H-1,2-oxazol-3-yl]phenyl]phenyl]ethanone
CID 153007207
3-[4-[4-[2-(2,6-Difluorophenyl)-2-oxoethyl]phenyl]-3-methylphenyl]-5,5-dimethyl-1,2-oxazol-4-one
CID 158822746
2-Fluoro-N-{[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-YL]methyl}-N-{[4-(trifluoromethyl)phenyl]methyl}benzamide
CID 45977487
3-fluoro-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 93307573
3-fluoro-N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 93307574

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide (CID 148763116) is 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide is Cc1ccc(C2=NOC(C)(C(=O)N(C)C)C2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is OGYBRGRGARZOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N2O3/c1-17-8-11-20(24-16-28(2,35-31-24)27(34)32(3)4)15-21(17)19-12-9-18(10-13-19)14-25(33)26-22(29)6-5-7-23(26)30/h5-13,15H,14,16H2,1-4H3.
What are the key properties of 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide?
3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 476.52 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 148763116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).