2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide

C15H11ClN2O2S — CID 2305047

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O2S/c16-10-5-7-11(8-6-10)17-14(19)9-21-15-18-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H,17,19)
InChIKeyPLKUVZQRIFAWAI-UHFFFAOYSA-N
MW318.79 g/mol
LogP4.21
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide (PubChem CID 2305047) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide
PubChem CID2305047
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O2S/c16-10-5-7-11(8-6-10)17-14(19)9-21-15-18-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H,17,19)
InChIKeyPLKUVZQRIFAWAI-UHFFFAOYSA-N
XLogP4.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide (CID 2305047) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide is O=C(CSc1nc2ccccc2o1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide?
The InChIKey is PLKUVZQRIFAWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-10-5-7-11(8-6-10)17-14(19)9-21-15-18-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H,17,19).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chlorophenyl)acetamide has a molecular weight of 318.79 g/mol, XLogP of 4.21, 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-(4-chlorophenyl)acetamide is sourced from PubChem (CID 2305047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).