2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide

C13H11N3O3S — CID 115286345

IUPAC2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
SMILESNC(C(=O)Nc1ccc2oc(=O)[nH]c2c1)c1cccs1
InChIInChI=1S/C13H11N3O3S/c14-11(10-2-1-5-20-10)12(17)15-7-3-4-9-8(6-7)16-13(18)19-9/h1-6,11H,14H2,(H,15,17)(H,16,18)
InChIKeyPJMRKPQMBRFZPW-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.82
Rot. Bonds3

About 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide

2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide (PubChem CID 115286345) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
PubChem CID115286345
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
SMILESNC(C(=O)Nc1ccc2oc(=O)[nH]c2c1)c1cccs1
InChIInChI=1S/C13H11N3O3S/c14-11(10-2-1-5-20-10)12(17)15-7-3-4-9-8(6-7)16-13(18)19-9/h1-6,11H,14H2,(H,15,17)(H,16,18)
InChIKeyPJMRKPQMBRFZPW-UHFFFAOYSA-N
XLogP1.82
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide 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

(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360
2-amino-N-(4-fluorophenyl)-2-thiophen-2-ylacetamide
CID 115285922
(E)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 110410928
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
CID 115286986
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
N-[3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propyl]thiophene-2-carboxamide
CID 134019751
2-(hydroxymethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 115186381
2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 65225120
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 38467487

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide (CID 115286345) is 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide is NC(C(=O)Nc1ccc2oc(=O)[nH]c2c1)c1cccs1.
What is the InChIKey of 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide?
The InChIKey is PJMRKPQMBRFZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c14-11(10-2-1-5-20-10)12(17)15-7-3-4-9-8(6-7)16-13(18)19-9/h1-6,11H,14H2,(H,15,17)(H,16,18).
What are the key properties of 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide?
2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide has a molecular weight of 289.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).