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

C15H12ClF3N2O2 — CID 25182164

IUPAC4-chloro-N-cyclobutyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C15H12ClF3N2O2/c16-11-12(14(22)20-10-2-1-3-10)21-23-13(11)8-4-6-9(7-5-8)15(17,18)19/h4-7,10H,1-3H2,(H,20,22)
InChIKeyWCBABDOVZCPOKE-UHFFFAOYSA-N
MW344.72 g/mol
LogP4.30
Rot. Bonds3

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

4-chloro-N-cyclobutyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 25182164) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is 4-chloro-N-cyclobutyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclobutyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID25182164
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Name4-chloro-N-cyclobutyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C15H12ClF3N2O2/c16-11-12(14(22)20-10-2-1-3-10)21-23-13(11)8-4-6-9(7-5-8)15(17,18)19/h4-7,10H,1-3H2,(H,20,22)
InChIKeyWCBABDOVZCPOKE-UHFFFAOYSA-N
XLogP4.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclobutyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-chloro-N-cyclobutyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 25182164) is 4-chloro-N-cyclobutyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclobutyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-cyclobutyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(NC1CCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-cyclobutyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WCBABDOVZCPOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c16-11-12(14(22)20-10-2-1-3-10)21-23-13(11)8-4-6-9(7-5-8)15(17,18)19/h4-7,10H,1-3H2,(H,20,22).
What are the key properties of 4-chloro-N-cyclobutyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
4-chloro-N-cyclobutyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 344.72 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclobutyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25182164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).