4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide

C18H12F6N2O2 — CID 162452372

IUPAC4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide
SMILESNC(=O)c1ccc(C(F)F)c(-c2ccccc2F)c1C1=NOC(C(F)(F)F)C1
InChIInChI=1S/C18H12F6N2O2/c19-11-4-2-1-3-8(11)14-9(16(20)21)5-6-10(17(25)27)15(14)12-7-13(28-26-12)18(22,23)24/h1-6,13,16H,7H2,(H2,25,27)
InChIKeyKQLDYFHVSHOHRI-UHFFFAOYSA-N
MW402.29 g/mol
LogP4.58
Rot. Bonds4

About 4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide

4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide (PubChem CID 162452372) has the molecular formula C18H12F6N2O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide
PubChem CID162452372
Molecular FormulaC18H12F6N2O2
Molecular Weight402.29 g/mol
Exact Mass402.08
IUPAC Name4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide
SMILESNC(=O)c1ccc(C(F)F)c(-c2ccccc2F)c1C1=NOC(C(F)(F)F)C1
InChIInChI=1S/C18H12F6N2O2/c19-11-4-2-1-3-8(11)14-9(16(20)21)5-6-10(17(25)27)15(14)12-7-13(28-26-12)18(22,23)24/h1-6,13,16H,7H2,(H2,25,27)
InChIKeyKQLDYFHVSHOHRI-UHFFFAOYSA-N
XLogP4.58
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide 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-{[3-(4-fluorobenzyl)-4,5-dihydro-5-isoxazolyl]methyl}-3,4-dimethylbenzamide
CID 45177052
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-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
CID 135321916
2-methyl-4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
CID 135321987
4-[(5S)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]benzamide
CID 135335652
N-sulfanyl-4-[(5S)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]naphthalene-1-carboxamide
CID 139409215
N-iodo-4-[(5S)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]naphthalene-1-carboxamide
CID 139409247
2-(3,3,3-Trifluoro-2-propan-2-yloxyiminopropyl)naphthalene-1-carboxamide
CID 140578768
2-(2-Ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide
CID 140578827
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

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
The IUPAC name of 4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide (CID 162452372) is 4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for 4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for 4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide is NC(=O)c1ccc(C(F)F)c(-c2ccccc2F)c1C1=NOC(C(F)(F)F)C1.
What is the InChIKey of 4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
The InChIKey is KQLDYFHVSHOHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N2O2/c19-11-4-2-1-3-8(11)14-9(16(20)21)5-6-10(17(25)27)15(14)12-7-13(28-26-12)18(22,23)24/h1-6,13,16H,7H2,(H2,25,27).
What are the key properties of 4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide?
4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide has a molecular weight of 402.29 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-(2-fluorophenyl)-2-[5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 162452372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).