3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide

C21H14ClF3N4O3 — CID 2809469

IUPAC3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C21H14ClF3N4O3/c1-11-17(18(28-31-11)14-4-2-3-5-15(14)22)20(30)26-10-16-27-19(29-32-16)12-6-8-13(9-7-12)21(23,24)25/h2-9H,10H2,1H3,(H,26,30)
InChIKeyYCRGINBWVQHNRF-UHFFFAOYSA-N
MW462.82 g/mol
LogP5.30
Rot. Bonds5

About 3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 2809469) has the molecular formula C21H14ClF3N4O3 and a molecular weight of 462.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID2809469
Molecular FormulaC21H14ClF3N4O3
Molecular Weight462.82 g/mol
Exact Mass462.07
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C21H14ClF3N4O3/c1-11-17(18(28-31-11)14-4-2-3-5-15(14)22)20(30)26-10-16-27-19(29-32-16)12-6-8-13(9-7-12)21(23,24)25/h2-9H,10H2,1H3,(H,26,30)
InChIKeyYCRGINBWVQHNRF-UHFFFAOYSA-N
XLogP5.30
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.82
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide (CID 2809469) is 3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is YCRGINBWVQHNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O3/c1-11-17(18(28-31-11)14-4-2-3-5-15(14)22)20(30)26-10-16-27-19(29-32-16)12-6-8-13(9-7-12)21(23,24)25/h2-9H,10H2,1H3,(H,26,30).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 462.82 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2809469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).