2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide

C14H16N2O2S — CID 597008

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide
SMILESO=C(CSc1nc2ccccc2o1)NC1CCCC1
InChIInChI=1S/C14H16N2O2S/c17-13(15-10-5-1-2-6-10)9-19-14-16-11-7-3-4-8-12(11)18-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,17)
InChIKeyKHYOMIDWOSJNQS-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.98
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide (PubChem CID 597008) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide
PubChem CID597008
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide
SMILESO=C(CSc1nc2ccccc2o1)NC1CCCC1
InChIInChI=1S/C14H16N2O2S/c17-13(15-10-5-1-2-6-10)9-19-14-16-11-7-3-4-8-12(11)18-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,17)
InChIKeyKHYOMIDWOSJNQS-UHFFFAOYSA-N
XLogP2.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide 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-cyclopentylacetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide (CID 597008) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide is O=C(CSc1nc2ccccc2o1)NC1CCCC1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide?
The InChIKey is KHYOMIDWOSJNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-13(15-10-5-1-2-6-10)9-19-14-16-11-7-3-4-8-12(11)18-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,17).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopentylacetamide has a molecular weight of 276.36 g/mol, XLogP of 2.98, 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-cyclopentylacetamide is sourced from PubChem (CID 597008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).