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

C14H12ClF3N2O2 — CID 17174025

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H12ClF3N2O2/c1-3-10-12(7(2)22-20-10)13(21)19-11-5-4-8(15)6-9(11)14(16,17)18/h4-6H,3H2,1-2H3,(H,19,21)
InChIKeySBHYBHYVRNCHRH-UHFFFAOYSA-N
MW332.71 g/mol
LogP4.47
Rot. Bonds3

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 17174025) has the molecular formula C14H12ClF3N2O2 and a molecular weight of 332.71 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID17174025
Molecular FormulaC14H12ClF3N2O2
Molecular Weight332.71 g/mol
Exact Mass332.05
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H12ClF3N2O2/c1-3-10-12(7(2)22-20-10)13(21)19-11-5-4-8(15)6-9(11)14(16,17)18/h4-6H,3H2,1-2H3,(H,19,21)
InChIKeySBHYBHYVRNCHRH-UHFFFAOYSA-N
XLogP4.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.71
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 17174025) is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is SBHYBHYVRNCHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O2/c1-3-10-12(7(2)22-20-10)13(21)19-11-5-4-8(15)6-9(11)14(16,17)18/h4-6H,3H2,1-2H3,(H,19,21).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 332.71 g/mol, XLogP of 4.47, 3 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-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17174025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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