1,2-oxazole-3,4-diamine

C3H5N3O — CID 69332685

IUPAC1,2-oxazole-3,4-diamine
SMILESNc1conc1N
InChIInChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)
InChIKeyIYBPJLBFCXLNMF-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.16
Rot. Bonds

About 1,2-oxazole-3,4-diamine

1,2-oxazole-3,4-diamine (PubChem CID 69332685) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is 1,2-oxazole-3,4-diamine.

Molecular Properties

Compound Name1,2-oxazole-3,4-diamine
PubChem CID69332685
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name1,2-oxazole-3,4-diamine
SMILESNc1conc1N
InChIInChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)
InChIKeyIYBPJLBFCXLNMF-UHFFFAOYSA-N
XLogP-0.16
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole-3,4-diamine?
The IUPAC name of 1,2-oxazole-3,4-diamine (CID 69332685) is 1,2-oxazole-3,4-diamine.
What is the SMILES notation for 1,2-oxazole-3,4-diamine?
The canonical SMILES for 1,2-oxazole-3,4-diamine is Nc1conc1N.
What is the InChIKey of 1,2-oxazole-3,4-diamine?
The InChIKey is IYBPJLBFCXLNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6).
What are the key properties of 1,2-oxazole-3,4-diamine?
1,2-oxazole-3,4-diamine has a molecular weight of 99.09 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole-3,4-diamine is sourced from PubChem (CID 69332685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).