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

C14H10ClF3N2O3 — CID 2726936

IUPACN-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(=O)c2ccc(Cl)cc2)c(C(F)(F)F)o1
InChIInChI=1S/C14H10ClF3N2O3/c1-7-20-11(12(23-7)14(16,17)18)13(22)19-6-10(21)8-2-4-9(15)5-3-8/h2-5H,6H2,1H3,(H,19,22)
InChIKeyZTHCGDLNAGHYDK-UHFFFAOYSA-N
MW346.69 g/mol
LogP3.27
Rot. Bonds4

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

N-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 2726936) has the molecular formula C14H10ClF3N2O3 and a molecular weight of 346.69 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID2726936
Molecular FormulaC14H10ClF3N2O3
Molecular Weight346.69 g/mol
Exact Mass346.03
IUPAC NameN-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(=O)c2ccc(Cl)cc2)c(C(F)(F)F)o1
InChIInChI=1S/C14H10ClF3N2O3/c1-7-20-11(12(23-7)14(16,17)18)13(22)19-6-10(21)8-2-4-9(15)5-3-8/h2-5H,6H2,1H3,(H,19,22)
InChIKeyZTHCGDLNAGHYDK-UHFFFAOYSA-N
XLogP3.27
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.69
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 2726936) is N-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCC(=O)c2ccc(Cl)cc2)c(C(F)(F)F)o1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZTHCGDLNAGHYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O3/c1-7-20-11(12(23-7)14(16,17)18)13(22)19-6-10(21)8-2-4-9(15)5-3-8/h2-5H,6H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 346.69 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2726936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).