3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine

C13H9ClN2OS — CID 80645292

IUPAC3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2sccc2Cl)c1-c1ccccc1
InChIInChI=1S/C13H9ClN2OS/c14-9-6-7-18-12(9)11-10(13(15)17-16-11)8-4-2-1-3-5-8/h1-7H,15H2
InChIKeyFXZHABPZTHCHQQ-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.31
Rot. Bonds2

About 3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine

3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine (PubChem CID 80645292) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine
PubChem CID80645292
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2sccc2Cl)c1-c1ccccc1
InChIInChI=1S/C13H9ClN2OS/c14-9-6-7-18-12(9)11-10(13(15)17-16-11)8-4-2-1-3-5-8/h1-7H,15H2
InChIKeyFXZHABPZTHCHQQ-UHFFFAOYSA-N
XLogP4.31
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-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 3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine (CID 80645292) is 3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine is Nc1onc(-c2sccc2Cl)c1-c1ccccc1.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine?
The InChIKey is FXZHABPZTHCHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c14-9-6-7-18-12(9)11-10(13(15)17-16-11)8-4-2-1-3-5-8/h1-7H,15H2.
What are the key properties of 3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine?
3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine has a molecular weight of 276.75 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 80645292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).