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

C15H15F3N2O2S — CID 7740565

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O2S/c1-9-13(10(2)22-20-9)7-23-8-14(21)19-12-5-3-4-11(6-12)15(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,21)
InChIKeyOPCLFLHWOGSQQL-UHFFFAOYSA-N
MW344.36 g/mol
LogP4.18
Rot. Bonds5

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 7740565) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID7740565
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O2S/c1-9-13(10(2)22-20-9)7-23-8-14(21)19-12-5-3-4-11(6-12)15(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,21)
InChIKeyOPCLFLHWOGSQQL-UHFFFAOYSA-N
XLogP4.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 7740565) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1noc(C)c1CSCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OPCLFLHWOGSQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-9-13(10(2)22-20-9)7-23-8-14(21)19-12-5-3-4-11(6-12)15(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,21).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 344.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7740565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).