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

C18H12ClF3N2O2 — CID 168872839

IUPAC5-(2-chlorophenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF3N2O2/c1-10-15(16(26-24-10)13-7-2-3-8-14(13)19)17(25)23-12-6-4-5-11(9-12)18(20,21)22/h2-9H,1H3,(H,23,25)
InChIKeyWPCZPYSZOKRUNB-UHFFFAOYSA-N
MW380.75 g/mol
LogP5.57
Rot. Bonds3

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

5-(2-chlorophenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 168872839) has the molecular formula C18H12ClF3N2O2 and a molecular weight of 380.75 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID168872839
Molecular FormulaC18H12ClF3N2O2
Molecular Weight380.75 g/mol
Exact Mass380.05
IUPAC Name5-(2-chlorophenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF3N2O2/c1-10-15(16(26-24-10)13-7-2-3-8-14(13)19)17(25)23-12-6-4-5-11(9-12)18(20,21)22/h2-9H,1H3,(H,23,25)
InChIKeyWPCZPYSZOKRUNB-UHFFFAOYSA-N
XLogP5.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 168872839) is 5-(2-chlorophenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(2-chlorophenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is WPCZPYSZOKRUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O2/c1-10-15(16(26-24-10)13-7-2-3-8-14(13)19)17(25)23-12-6-4-5-11(9-12)18(20,21)22/h2-9H,1H3,(H,23,25).
What are the key properties of 5-(2-chlorophenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
5-(2-chlorophenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 380.75 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 168872839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).