5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

C13H9N3O3S — CID 66197989

IUPAC5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccccc2[N+](=O)[O-])c1-c1cccs1
InChIInChI=1S/C13H9N3O3S/c14-13-11(10-6-3-7-20-10)12(19-15-13)8-4-1-2-5-9(8)16(17)18/h1-7H,(H2,14,15)
InChIKeyUDRZRBLWORVLHR-UHFFFAOYSA-N
MW287.30 g/mol
LogP3.56
Rot. Bonds3

About 5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 66197989) has the molecular formula C13H9N3O3S and a molecular weight of 287.30 g/mol. Its IUPAC name is 5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID66197989
Molecular FormulaC13H9N3O3S
Molecular Weight287.30 g/mol
Exact Mass287.04
IUPAC Name5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccccc2[N+](=O)[O-])c1-c1cccs1
InChIInChI=1S/C13H9N3O3S/c14-13-11(10-6-3-7-20-10)12(19-15-13)8-4-1-2-5-9(8)16(17)18/h1-7H,(H2,14,15)
InChIKeyUDRZRBLWORVLHR-UHFFFAOYSA-N
XLogP3.56
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine 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-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (CID 66197989) is 5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is Nc1noc(-c2ccccc2[N+](=O)[O-])c1-c1cccs1.
What is the InChIKey of 5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is UDRZRBLWORVLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3S/c14-13-11(10-6-3-7-20-10)12(19-15-13)8-4-1-2-5-9(8)16(17)18/h1-7H,(H2,14,15).
What are the key properties of 5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 287.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66197989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).