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

C12H16N2OS — CID 62503085

IUPAC3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCCCCCc1noc(N)c1-c1cccs1
InChIInChI=1S/C12H16N2OS/c1-2-3-4-6-9-11(12(13)15-14-9)10-7-5-8-16-10/h5,7-8H,2-4,6,13H2,1H3
InChIKeyFQLYHNVRMVHLLB-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.72
Rot. Bonds5

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

3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 62503085) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID62503085
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCCCCCc1noc(N)c1-c1cccs1
InChIInChI=1S/C12H16N2OS/c1-2-3-4-6-9-11(12(13)15-14-9)10-7-5-8-16-10/h5,7-8H,2-4,6,13H2,1H3
InChIKeyFQLYHNVRMVHLLB-UHFFFAOYSA-N
XLogP3.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-pentyl-4-thiophen-2-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 3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 62503085) is 3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine is CCCCCc1noc(N)c1-c1cccs1.
What is the InChIKey of 3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is FQLYHNVRMVHLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-3-4-6-9-11(12(13)15-14-9)10-7-5-8-16-10/h5,7-8H,2-4,6,13H2,1H3.
What are the key properties of 3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 236.34 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 62503085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).