4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide

C25H20F2N2O3 — CID 140615787

IUPAC4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide
SMILESCc1ccccc1-c1ccc(-c2c(C3=NOC(C)(C)C3=O)cc(F)c(C(N)=O)c2F)cc1
InChIInChI=1S/C25H20F2N2O3/c1-13-6-4-5-7-16(13)14-8-10-15(11-9-14)19-17(22-23(30)25(2,3)32-29-22)12-18(26)20(21(19)27)24(28)31/h4-12H,1-3H3,(H2,28,31)
InChIKeyPEKXWKVFHIGIEB-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.79
Rot. Bonds4

About 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide (PubChem CID 140615787) has the molecular formula C25H20F2N2O3 and a molecular weight of 434.44 g/mol. Its IUPAC name is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide
PubChem CID140615787
Molecular FormulaC25H20F2N2O3
Molecular Weight434.44 g/mol
Exact Mass434.14
IUPAC Name4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide
SMILESCc1ccccc1-c1ccc(-c2c(C3=NOC(C)(C)C3=O)cc(F)c(C(N)=O)c2F)cc1
InChIInChI=1S/C25H20F2N2O3/c1-13-6-4-5-7-16(13)14-8-10-15(11-9-14)19-17(22-23(30)25(2,3)32-29-22)12-18(26)20(21(19)27)24(28)31/h4-12H,1-3H3,(H2,28,31)
InChIKeyPEKXWKVFHIGIEB-UHFFFAOYSA-N
XLogP4.79
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N'-[1-[3-acetyl-4-(2-methylphenyl)phenyl]ethenoxy]-3-fluorobenzenecarboximidamide
CID 89191603
4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide
CID 126500090
4-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide
CID 126746834
2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
CID 135321987
N-iodo-4-[(5S)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]naphthalene-1-carboxamide
CID 139409247
2-(2-methoxyiminoethyl)-4-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide
CID 140578766
3-[4-[5-(5,5-Dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide
CID 142715004
2-fluoro-4-[(E)-N-[1-[3-(3-methoxyprop-1-ynyl)-4-(2-methylphenyl)phenyl]ethenoxy]-C-methylcarbonimidoyl]benzamide
CID 143784106
2,5-difluoro-4-[(E)-N-[1-[3-(methoxymethyl)-4-(2-methylphenyl)phenyl]ethenoxy]-C-methylcarbonimidoyl]benzamide
CID 143784208
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
3-[3-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methylphenyl]-N,N,5-trimethyl-4H-1,2-oxazole-5-carboxamide
CID 148763116

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide?
The IUPAC name of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide (CID 140615787) is 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide.
What is the SMILES notation for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide?
The canonical SMILES for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide is Cc1ccccc1-c1ccc(-c2c(C3=NOC(C)(C)C3=O)cc(F)c(C(N)=O)c2F)cc1.
What is the InChIKey of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide?
The InChIKey is PEKXWKVFHIGIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O3/c1-13-6-4-5-7-16(13)14-8-10-15(11-9-14)19-17(22-23(30)25(2,3)32-29-22)12-18(26)20(21(19)27)24(28)31/h4-12H,1-3H3,(H2,28,31).
What are the key properties of 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide?
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide has a molecular weight of 434.44 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide is sourced from PubChem (CID 140615787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).