N-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide

C16H14N2O3 — CID 110728864

IUPACN-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3ncoc3c2)cc1
InChIInChI=1S/C16H14N2O3/c1-20-13-5-2-11(3-6-13)8-16(19)18-12-4-7-14-15(9-12)21-10-17-14/h2-7,9-10H,8H2,1H3,(H,18,19)
InChIKeyOBDUJOXIOVHLSM-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.02
Rot. Bonds4

About N-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide

N-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 110728864) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID110728864
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3ncoc3c2)cc1
InChIInChI=1S/C16H14N2O3/c1-20-13-5-2-11(3-6-13)8-16(19)18-12-4-7-14-15(9-12)21-10-17-14/h2-7,9-10H,8H2,1H3,(H,18,19)
InChIKeyOBDUJOXIOVHLSM-UHFFFAOYSA-N
XLogP3.02
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)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 N-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide (CID 110728864) is N-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc3ncoc3c2)cc1.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is OBDUJOXIOVHLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-13-5-2-11(3-6-13)8-16(19)18-12-4-7-14-15(9-12)21-10-17-14/h2-7,9-10H,8H2,1H3,(H,18,19).
What are the key properties of N-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide?
N-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 282.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 110728864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).