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

C13H10ClF3N2O2 — CID 110427091

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)no1
InChIInChI=1S/C13H10ClF3N2O2/c1-7-4-9(19-21-7)6-12(20)18-8-2-3-11(14)10(5-8)13(15,16)17/h2-5H,6H2,1H3,(H,18,20)
InChIKeyWZTZSKQNCYUIQY-UHFFFAOYSA-N
MW318.68 g/mol
LogP3.84
Rot. Bonds3

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 110427091) has the molecular formula C13H10ClF3N2O2 and a molecular weight of 318.68 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID110427091
Molecular FormulaC13H10ClF3N2O2
Molecular Weight318.68 g/mol
Exact Mass318.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)no1
InChIInChI=1S/C13H10ClF3N2O2/c1-7-4-9(19-21-7)6-12(20)18-8-2-3-11(14)10(5-8)13(15,16)17/h2-5H,6H2,1H3,(H,18,20)
InChIKeyWZTZSKQNCYUIQY-UHFFFAOYSA-N
XLogP3.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.68
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 68647812
N-(3,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110428961
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680187
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(5-methyl-1,2-oxazol-3-yl)phenyl]urea
CID 151703950
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3,5-dimethylphenyl)propanediamide
CID 108953737
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24560998
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27667849
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylanilino)acetamide
CID 109007487
2-acetamido-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]acetamide
CID 60559581
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 51297120

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 110427091) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)no1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is WZTZSKQNCYUIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O2/c1-7-4-9(19-21-7)6-12(20)18-8-2-3-11(14)10(5-8)13(15,16)17/h2-5H,6H2,1H3,(H,18,20).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 318.68 g/mol, XLogP of 3.84, 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-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 110427091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).