5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide

C13H13N3O4 — CID 135348856

IUPAC5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1cc(C(=O)NO)no1)c1ccccc1
InChIInChI=1S/C13H13N3O4/c17-12(9-4-2-1-3-5-9)14-7-6-10-8-11(16-20-10)13(18)15-19/h1-5,8,19H,6-7H2,(H,14,17)(H,15,18)
InChIKeyPMFJNONNRGFKMC-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.77
Rot. Bonds5

About 5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide

5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide (PubChem CID 135348856) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide
PubChem CID135348856
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1cc(C(=O)NO)no1)c1ccccc1
InChIInChI=1S/C13H13N3O4/c17-12(9-4-2-1-3-5-9)14-7-6-10-8-11(16-20-10)13(18)15-19/h1-5,8,19H,6-7H2,(H,14,17)(H,15,18)
InChIKeyPMFJNONNRGFKMC-UHFFFAOYSA-N
XLogP0.77
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide 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 5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide (CID 135348856) is 5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide is O=C(NCCc1cc(C(=O)NO)no1)c1ccccc1.
What is the InChIKey of 5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide?
The InChIKey is PMFJNONNRGFKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-12(9-4-2-1-3-5-9)14-7-6-10-8-11(16-20-10)13(18)15-19/h1-5,8,19H,6-7H2,(H,14,17)(H,15,18).
What are the key properties of 5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide?
5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide has a molecular weight of 275.26 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzamidoethyl)-N-hydroxy-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135348856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).