2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide

C11H13N3O3 — CID 67786429

IUPAC2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide
SMILESNCC(=O)NCCc1nc2c(o1)CC(=O)C=C2
InChIInChI=1S/C11H13N3O3/c12-6-10(16)13-4-3-11-14-8-2-1-7(15)5-9(8)17-11/h1-2H,3-6,12H2,(H,13,16)
InChIKeyZDQKHQVQPHWHMW-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.57
Rot. Bonds4

About 2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide

2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide (PubChem CID 67786429) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide
PubChem CID67786429
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide
SMILESNCC(=O)NCCc1nc2c(o1)CC(=O)C=C2
InChIInChI=1S/C11H13N3O3/c12-6-10(16)13-4-3-11-14-8-2-1-7(15)5-9(8)17-11/h1-2H,3-6,12H2,(H,13,16)
InChIKeyZDQKHQVQPHWHMW-UHFFFAOYSA-N
XLogP-0.57
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]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 2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide (CID 67786429) is 2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide is NCC(=O)NCCc1nc2c(o1)CC(=O)C=C2.
What is the InChIKey of 2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
The InChIKey is ZDQKHQVQPHWHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-6-10(16)13-4-3-11-14-8-2-1-7(15)5-9(8)17-11/h1-2H,3-6,12H2,(H,13,16).
What are the key properties of 2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide has a molecular weight of 235.24 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 67786429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).