N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C13H10ClF3N2O2 — CID 1247481

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H10ClF3N2O2/c1-6-11(7(2)21-19-6)12(20)18-10-4-3-8(14)5-9(10)13(15,16)17/h3-5H,1-2H3,(H,18,20)
InChIKeyWPOJTXLSSOEZIR-UHFFFAOYSA-N
MW318.68 g/mol
LogP4.22
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 1247481) has the molecular formula C13H10ClF3N2O2 and a molecular weight of 318.68 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID1247481
Molecular FormulaC13H10ClF3N2O2
Molecular Weight318.68 g/mol
Exact Mass318.04
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H10ClF3N2O2/c1-6-11(7(2)21-19-6)12(20)18-10-4-3-8(14)5-9(10)13(15,16)17/h3-5H,1-2H3,(H,18,20)
InChIKeyWPOJTXLSSOEZIR-UHFFFAOYSA-N
XLogP4.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.68
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-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

6-Chloro-3-(3-methylisoxazol-5-YL)-4-phenylquinolin-2(1H)-one
CID 135457822
3-(2-chloro-6-fluorophenyl)-N-(2-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1343287
N-{4-[(3,5-dimethylisoxazol-4-yl)carbonylamino]phenyl}acetamide
CID 4791027
5-amino-N-(3-chloro-4-fluorophenyl)-3-ethylisoxazole-4-carboxamide
CID 715872
N-(2-carbamoylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 987751
3-(2-chloro-6-fluorophenyl)-N-(2-fluoro-5-methylphenyl)-5-methyl-4-isoxazolecarboxamide
CID 1868174
N-(3-Chlorophenyl)-N-((8-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl)-3,5-dimethylisoxazole-4-carboxamide
CID 42618052
N-(3-Chlorophenyl)-N-((7,8-difluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl)-3,5-dimethylisoxazole-4-carboxamide
CID 42618069
6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 135442635
6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 135483665
6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 135499847
6-chloro-4-(cyclohexen-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 135545383

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 1247481) is N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is WPOJTXLSSOEZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O2/c1-6-11(7(2)21-19-6)12(20)18-10-4-3-8(14)5-9(10)13(15,16)17/h3-5H,1-2H3,(H,18,20).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 318.68 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1247481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).