2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

C13H12N6O4 — CID 112525936

IUPAC2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCC(=O)Nc1cn(CC(=O)Nc2ccc3oc(=O)[nH]c3c2)nn1
InChIInChI=1S/C13H12N6O4/c1-7(20)14-11-5-19(18-17-11)6-12(21)15-8-2-3-10-9(4-8)16-13(22)23-10/h2-5H,6H2,1H3,(H,14,20)(H,15,21)(H,16,22)
InChIKeyATIPGNKLALWGCC-UHFFFAOYSA-N
MW316.28 g/mol
LogP0.31
Rot. Bonds4

About 2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 112525936) has the molecular formula C13H12N6O4 and a molecular weight of 316.28 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
PubChem CID112525936
Molecular FormulaC13H12N6O4
Molecular Weight316.28 g/mol
Exact Mass316.09
IUPAC Name2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCC(=O)Nc1cn(CC(=O)Nc2ccc3oc(=O)[nH]c3c2)nn1
InChIInChI=1S/C13H12N6O4/c1-7(20)14-11-5-19(18-17-11)6-12(21)15-8-2-3-10-9(4-8)16-13(22)23-10/h2-5H,6H2,1H3,(H,14,20)(H,15,21)(H,16,22)
InChIKeyATIPGNKLALWGCC-UHFFFAOYSA-N
XLogP0.31
TPSA134.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-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

Related Compounds

N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112525950
N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112525952
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 134019747
2-(4-acetamidotriazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 112521508
ethyl N-[1-[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112525597
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
CID 112525667
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
2-(4-acetamidotriazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 112525060
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide
CID 112522829
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 38465966

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 112525936) is 2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is CC(=O)Nc1cn(CC(=O)Nc2ccc3oc(=O)[nH]c3c2)nn1.
What is the InChIKey of 2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is ATIPGNKLALWGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O4/c1-7(20)14-11-5-19(18-17-11)6-12(21)15-8-2-3-10-9(4-8)16-13(22)23-10/h2-5H,6H2,1H3,(H,14,20)(H,15,21)(H,16,22).
What are the key properties of 2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 316.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 112525936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).