4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine

C12H9N3OS — CID 80525022

IUPAC4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccsc2)c1-c1ccncc1
InChIInChI=1S/C12H9N3OS/c13-12-10(8-1-4-14-5-2-8)11(15-16-12)9-3-6-17-7-9/h1-7H,13H2
InChIKeyRCOMEFRFTXTICF-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.05
Rot. Bonds2

About 4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine

4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine (PubChem CID 80525022) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine
PubChem CID80525022
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccsc2)c1-c1ccncc1
InChIInChI=1S/C12H9N3OS/c13-12-10(8-1-4-14-5-2-8)11(15-16-12)9-3-6-17-7-9/h1-7H,13H2
InChIKeyRCOMEFRFTXTICF-UHFFFAOYSA-N
XLogP3.05
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-pyridin-4-yl-3-thiophen-3-yl-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 4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine (CID 80525022) is 4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine is Nc1onc(-c2ccsc2)c1-c1ccncc1.
What is the InChIKey of 4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine?
The InChIKey is RCOMEFRFTXTICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-12-10(8-1-4-14-5-2-8)11(15-16-12)9-3-6-17-7-9/h1-7H,13H2.
What are the key properties of 4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine?
4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine has a molecular weight of 243.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80525022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).