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

C25H20F2N2O3 — CID 142715004

IUPAC3-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(-c2ccc(F)c(C(N)=O)c2F)cc1
InChIInChI=1S/C25H20F2N2O3/c1-13-4-5-16(22-23(30)25(2,3)32-29-22)12-18(13)15-8-6-14(7-9-15)17-10-11-19(26)20(21(17)27)24(28)31/h4-12H,1-3H3,(H2,28,31)
InChIKeyLSGKQNKFTJWGNB-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.79
Rot. Bonds4

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

3-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide (PubChem CID 142715004) has the molecular formula C25H20F2N2O3 and a molecular weight of 434.44 g/mol. Its IUPAC name is 3-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide
PubChem CID142715004
Molecular FormulaC25H20F2N2O3
Molecular Weight434.44 g/mol
Exact Mass434.14
IUPAC Name3-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide
SMILESCc1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(-c2ccc(F)c(C(N)=O)c2F)cc1
InChIInChI=1S/C25H20F2N2O3/c1-13-4-5-16(22-23(30)25(2,3)32-29-22)12-18(13)15-8-6-14(7-9-15)17-10-11-19(26)20(21(17)27)24(28)31/h4-12H,1-3H3,(H2,28,31)
InChIKeyLSGKQNKFTJWGNB-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

Analyze 3-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide with MolForge

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Related Compounds

US10292981, Example 3
CID 56958618
N-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-ethylphenyl]phenyl]-2,6-difluorobenzamide
CID 57330378
N-[4-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide
CID 89763731
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
4-(5,5-Dimethyl-4-oxo-1,2-oxazol-3-yl)-2,6-difluoro-3-[4-(2-methylphenyl)phenyl]benzamide
CID 140615787
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
3-[4-[4-[2-(2,6-Difluorophenyl)-2-oxoethyl]phenyl]-3-methylphenyl]-5,5-dimethyl-1,2-oxazol-4-one
CID 158822746
4-(Difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide
CID 162452372

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide?
The IUPAC name of 3-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide (CID 142715004) is 3-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for 3-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide is Cc1ccc(C2=NOC(C)(C)C2=O)cc1-c1ccc(-c2ccc(F)c(C(N)=O)c2F)cc1.
What is the InChIKey of 3-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide?
The InChIKey is LSGKQNKFTJWGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O3/c1-13-4-5-16(22-23(30)25(2,3)32-29-22)12-18(13)15-8-6-14(7-9-15)17-10-11-19(26)20(21(17)27)24(28)31/h4-12H,1-3H3,(H2,28,31).
What are the key properties of 3-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide?
3-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide 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 3-[4-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 142715004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).