5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile

C10H9N3OS — CID 66010530

IUPAC5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCc1cc(-c2nc(C#N)c(N)o2)sc1C
InChIInChI=1S/C10H9N3OS/c1-5-3-8(15-6(5)2)10-13-7(4-11)9(12)14-10/h3H,12H2,1-2H3
InChIKeyMJCUVQWECOQRAT-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.47
Rot. Bonds1

About 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile

5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 66010530) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID66010530
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCc1cc(-c2nc(C#N)c(N)o2)sc1C
InChIInChI=1S/C10H9N3OS/c1-5-3-8(15-6(5)2)10-13-7(4-11)9(12)14-10/h3H,12H2,1-2H3
InChIKeyMJCUVQWECOQRAT-UHFFFAOYSA-N
XLogP2.47
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile 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-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile (CID 66010530) is 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile is Cc1cc(-c2nc(C#N)c(N)o2)sc1C.
What is the InChIKey of 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is MJCUVQWECOQRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-5-3-8(15-6(5)2)10-13-7(4-11)9(12)14-10/h3H,12H2,1-2H3.
What are the key properties of 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile?
5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 219.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 66010530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).