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

C15H11ClN2O2 — CID 1235347

IUPAC2-(1,2-benzoxazol-3-yl)-N-(4-chlorophenyl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O2/c16-10-5-7-11(8-6-10)17-15(19)9-13-12-3-1-2-4-14(12)20-18-13/h1-8H,9H2,(H,17,19)
InChIKeyFWAHBBQYZNRCPK-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.66
Rot. Bonds3

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

2-(1,2-benzoxazol-3-yl)-N-(4-chlorophenyl)acetamide (PubChem CID 1235347) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(4-chlorophenyl)acetamide
PubChem CID1235347
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(4-chlorophenyl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O2/c16-10-5-7-11(8-6-10)17-15(19)9-13-12-3-1-2-4-14(12)20-18-13/h1-8H,9H2,(H,17,19)
InChIKeyFWAHBBQYZNRCPK-UHFFFAOYSA-N
XLogP3.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-chlorophenyl)acetamide (CID 1235347) is 2-(1,2-benzoxazol-3-yl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(4-chlorophenyl)acetamide is O=C(Cc1noc2ccccc12)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(4-chlorophenyl)acetamide?
The InChIKey is FWAHBBQYZNRCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-10-5-7-11(8-6-10)17-15(19)9-13-12-3-1-2-4-14(12)20-18-13/h1-8H,9H2,(H,17,19).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(4-chlorophenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(4-chlorophenyl)acetamide has a molecular weight of 286.72 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 1235347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).