2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide

C14H15ClN2O2S — CID 2373476

IUPAC2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide
SMILESO=C(CSc1nc2cc(Cl)ccc2o1)NC1CCCC1
InChIInChI=1S/C14H15ClN2O2S/c15-9-5-6-12-11(7-9)17-14(19-12)20-8-13(18)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,18)
InChIKeyIDEQEMYFBWFYPV-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.63
Rot. Bonds4

About 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide

2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide (PubChem CID 2373476) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide
PubChem CID2373476
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide
SMILESO=C(CSc1nc2cc(Cl)ccc2o1)NC1CCCC1
InChIInChI=1S/C14H15ClN2O2S/c15-9-5-6-12-11(7-9)17-14(19-12)20-8-13(18)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,18)
InChIKeyIDEQEMYFBWFYPV-UHFFFAOYSA-N
XLogP3.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-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-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide (CID 2373476) is 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide is O=C(CSc1nc2cc(Cl)ccc2o1)NC1CCCC1.
What is the InChIKey of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
The InChIKey is IDEQEMYFBWFYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-9-5-6-12-11(7-9)17-14(19-12)20-8-13(18)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,18).
What are the key properties of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide?
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide has a molecular weight of 310.81 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide is sourced from PubChem (CID 2373476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).