2,5-diamino-1,3-oxazole-4-carbonitrile

C4H4N4O — CID 69335213

IUPAC2,5-diamino-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(N)oc1N
InChIInChI=1S/C4H4N4O/c5-1-2-3(6)9-4(7)8-2/h6H2,(H2,7,8)
InChIKeySABIFULWQYJXNB-UHFFFAOYSA-N
MW124.10 g/mol
LogP-0.29
Rot. Bonds

About 2,5-diamino-1,3-oxazole-4-carbonitrile

2,5-diamino-1,3-oxazole-4-carbonitrile (PubChem CID 69335213) has the molecular formula C4H4N4O and a molecular weight of 124.10 g/mol. Its IUPAC name is 2,5-diamino-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2,5-diamino-1,3-oxazole-4-carbonitrile
PubChem CID69335213
Molecular FormulaC4H4N4O
Molecular Weight124.10 g/mol
Exact Mass124.04
IUPAC Name2,5-diamino-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(N)oc1N
InChIInChI=1S/C4H4N4O/c5-1-2-3(6)9-4(7)8-2/h6H2,(H2,7,8)
InChIKeySABIFULWQYJXNB-UHFFFAOYSA-N
XLogP-0.29
TPSA101.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,5-diamino-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 2,5-diamino-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2,5-diamino-1,3-oxazole-4-carbonitrile (CID 69335213) is 2,5-diamino-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2,5-diamino-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2,5-diamino-1,3-oxazole-4-carbonitrile is N#Cc1nc(N)oc1N.
What is the InChIKey of 2,5-diamino-1,3-oxazole-4-carbonitrile?
The InChIKey is SABIFULWQYJXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O/c5-1-2-3(6)9-4(7)8-2/h6H2,(H2,7,8).
What are the key properties of 2,5-diamino-1,3-oxazole-4-carbonitrile?
2,5-diamino-1,3-oxazole-4-carbonitrile has a molecular weight of 124.10 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 69335213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).