N,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C13H16N2O3 — CID 684944

IUPACN,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-3-14(4-2)12(16)9-15-10-7-5-6-8-11(10)18-13(15)17/h5-8H,3-4,9H2,1-2H3
InChIKeyBYHXYXNKUQKOLT-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.46
Rot. Bonds4

About N,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 684944) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID684944
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-3-14(4-2)12(16)9-15-10-7-5-6-8-11(10)18-13(15)17/h5-8H,3-4,9H2,1-2H3
InChIKeyBYHXYXNKUQKOLT-UHFFFAOYSA-N
XLogP1.46
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)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,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 684944) is N,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCN(CC)C(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is BYHXYXNKUQKOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-14(4-2)12(16)9-15-10-7-5-6-8-11(10)18-13(15)17/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 248.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 684944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).