2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

C16H11F3N2O2S — CID 1119762

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)10-5-1-2-6-11(10)20-14(22)9-24-15-21-12-7-3-4-8-13(12)23-15/h1-8H,9H2,(H,20,22)
InChIKeyAYFJVNHENUJBSZ-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.58
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 1119762) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID1119762
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)10-5-1-2-6-11(10)20-14(22)9-24-15-21-12-7-3-4-8-13(12)23-15/h1-8H,9H2,(H,20,22)
InChIKeyAYFJVNHENUJBSZ-UHFFFAOYSA-N
XLogP4.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(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-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 1119762) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CSc1nc2ccccc2o1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AYFJVNHENUJBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c17-16(18,19)10-5-1-2-6-11(10)20-14(22)9-24-15-21-12-7-3-4-8-13(12)23-15/h1-8H,9H2,(H,20,22).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 352.34 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1119762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).