N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide

C14H12ClF3N2O2 — CID 110680187

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C14H12ClF3N2O2/c1-7-12(22-8(2)19-7)6-13(21)20-9-3-4-11(15)10(5-9)14(16,17)18/h3-5H,6H2,1-2H3,(H,20,21)
InChIKeyRCVVXPYKMPUSQI-UHFFFAOYSA-N
MW332.71 g/mol
LogP4.14
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide (PubChem CID 110680187) has the molecular formula C14H12ClF3N2O2 and a molecular weight of 332.71 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
PubChem CID110680187
Molecular FormulaC14H12ClF3N2O2
Molecular Weight332.71 g/mol
Exact Mass332.05
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C14H12ClF3N2O2/c1-7-12(22-8(2)19-7)6-13(21)20-9-3-4-11(15)10(5-9)14(16,17)18/h3-5H,6H2,1-2H3,(H,20,21)
InChIKeyRCVVXPYKMPUSQI-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110427091
N-(4-acetamidophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680155
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3,5-dimethylphenyl)propanediamide
CID 108953737
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
N-(4-bromophenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680134
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846
2-acetamido-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]acetamide
CID 60559581
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylanilino)acetamide
CID 109007487
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110863765
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691808

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide (CID 110680187) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide is Cc1nc(C)c(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide?
The InChIKey is RCVVXPYKMPUSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O2/c1-7-12(22-8(2)19-7)6-13(21)20-9-3-4-11(15)10(5-9)14(16,17)18/h3-5H,6H2,1-2H3,(H,20,21).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide has a molecular weight of 332.71 g/mol, XLogP of 4.14, 3 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]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide is sourced from PubChem (CID 110680187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).