2-N-methyl-1,3-oxazole-2,5-diamine

C4H7N3O — CID 117190022

IUPAC2-N-methyl-1,3-oxazole-2,5-diamine
SMILESCNc1ncc(N)o1
InChIInChI=1S/C4H7N3O/c1-6-4-7-2-3(5)8-4/h2H,5H2,1H3,(H,6,7)
InChIKeyXGBUACQGZFIAFA-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.30
Rot. Bonds1

About 2-N-methyl-1,3-oxazole-2,5-diamine

2-N-methyl-1,3-oxazole-2,5-diamine (PubChem CID 117190022) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-N-methyl-1,3-oxazole-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-1,3-oxazole-2,5-diamine
PubChem CID117190022
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name2-N-methyl-1,3-oxazole-2,5-diamine
SMILESCNc1ncc(N)o1
InChIInChI=1S/C4H7N3O/c1-6-4-7-2-3(5)8-4/h2H,5H2,1H3,(H,6,7)
InChIKeyXGBUACQGZFIAFA-UHFFFAOYSA-N
XLogP0.30
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1,3-oxazole-2,5-diamine?
The IUPAC name of 2-N-methyl-1,3-oxazole-2,5-diamine (CID 117190022) is 2-N-methyl-1,3-oxazole-2,5-diamine.
What is the SMILES notation for 2-N-methyl-1,3-oxazole-2,5-diamine?
The canonical SMILES for 2-N-methyl-1,3-oxazole-2,5-diamine is CNc1ncc(N)o1.
What is the InChIKey of 2-N-methyl-1,3-oxazole-2,5-diamine?
The InChIKey is XGBUACQGZFIAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-6-4-7-2-3(5)8-4/h2H,5H2,1H3,(H,6,7).
What are the key properties of 2-N-methyl-1,3-oxazole-2,5-diamine?
2-N-methyl-1,3-oxazole-2,5-diamine has a molecular weight of 113.12 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1,3-oxazole-2,5-diamine is sourced from PubChem (CID 117190022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).