N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide

C17H12ClFN2O2 — CID 71871784

IUPACN-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C17H12ClFN2O2/c1-10-15(23-17(20-10)11-5-3-2-4-6-11)16(22)21-14-9-12(18)7-8-13(14)19/h2-9H,1H3,(H,21,22)
InChIKeyYVLHUFRXLHXXMW-UHFFFAOYSA-N
MW330.75 g/mol
LogP4.69
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide

N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 71871784) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
PubChem CID71871784
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC NameN-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C17H12ClFN2O2/c1-10-15(23-17(20-10)11-5-3-2-4-6-11)16(22)21-14-9-12(18)7-8-13(14)19/h2-9H,1H3,(H,21,22)
InChIKeyYVLHUFRXLHXXMW-UHFFFAOYSA-N
XLogP4.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-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-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113446
4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
CID 71873822
4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119504426
N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4140143
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid
CID 99644527
N-(2,4-difluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 26360076
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2,6-difluorobenzoic acid
CID 118177022
2-(4-chlorophenyl)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-oxazole-5-carboxamide
CID 136961096
2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 120518600
N-(3,4-difluorophenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110651460
2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid
CID 61198828
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 107953395

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide (CID 71871784) is N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide is Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is YVLHUFRXLHXXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c1-10-15(23-17(20-10)11-5-3-2-4-6-11)16(22)21-14-9-12(18)7-8-13(14)19/h2-9H,1H3,(H,21,22).
What are the key properties of N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 330.75 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 71871784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).