2-ethynyl-1,3-oxazol-5-amine

C5H4N2O — CID 130055354

IUPAC2-ethynyl-1,3-oxazol-5-amine
SMILESC#Cc1ncc(N)o1
InChIInChI=1S/C5H4N2O/c1-2-5-7-3-4(6)8-5/h1,3H,6H2
InChIKeyBOYZHDYNHLQNSJ-UHFFFAOYSA-N
MW108.10 g/mol
LogP0.24
Rot. Bonds

About 2-ethynyl-1,3-oxazol-5-amine

2-ethynyl-1,3-oxazol-5-amine (PubChem CID 130055354) has the molecular formula C5H4N2O and a molecular weight of 108.10 g/mol. Its IUPAC name is 2-ethynyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-ethynyl-1,3-oxazol-5-amine
PubChem CID130055354
Molecular FormulaC5H4N2O
Molecular Weight108.10 g/mol
Exact Mass108.03
IUPAC Name2-ethynyl-1,3-oxazol-5-amine
SMILESC#Cc1ncc(N)o1
InChIInChI=1S/C5H4N2O/c1-2-5-7-3-4(6)8-5/h1,3H,6H2
InChIKeyBOYZHDYNHLQNSJ-UHFFFAOYSA-N
XLogP0.24
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethynyl-1,3-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 2-ethynyl-1,3-oxazol-5-amine?
The IUPAC name of 2-ethynyl-1,3-oxazol-5-amine (CID 130055354) is 2-ethynyl-1,3-oxazol-5-amine.
What is the SMILES notation for 2-ethynyl-1,3-oxazol-5-amine?
The canonical SMILES for 2-ethynyl-1,3-oxazol-5-amine is C#Cc1ncc(N)o1.
What is the InChIKey of 2-ethynyl-1,3-oxazol-5-amine?
The InChIKey is BOYZHDYNHLQNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O/c1-2-5-7-3-4(6)8-5/h1,3H,6H2.
What are the key properties of 2-ethynyl-1,3-oxazol-5-amine?
2-ethynyl-1,3-oxazol-5-amine has a molecular weight of 108.10 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-1,3-oxazol-5-amine is sourced from PubChem (CID 130055354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).