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

C12H8ClF3N2O2 — CID 110682650

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H8ClF3N2O2/c1-6-8(5-17-20-6)11(19)18-7-2-3-10(13)9(4-7)12(14,15)16/h2-5H,1H3,(H,18,19)
InChIKeyDCWFIODXKBUENL-UHFFFAOYSA-N
MW304.66 g/mol
LogP3.91
Rot. Bonds2

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110682650) has the molecular formula C12H8ClF3N2O2 and a molecular weight of 304.66 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID110682650
Molecular FormulaC12H8ClF3N2O2
Molecular Weight304.66 g/mol
Exact Mass304.02
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H8ClF3N2O2/c1-6-8(5-17-20-6)11(19)18-7-2-3-10(13)9(4-7)12(14,15)16/h2-5H,1H3,(H,18,19)
InChIKeyDCWFIODXKBUENL-UHFFFAOYSA-N
XLogP3.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 110682650) is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is DCWFIODXKBUENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2/c1-6-8(5-17-20-6)11(19)18-7-2-3-10(13)9(4-7)12(14,15)16/h2-5H,1H3,(H,18,19).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 304.66 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110682650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).