methanamine;1,2-oxazole

C4H8N2O — CID 160898363

IUPACmethanamine;1,2-oxazole
SMILESCN.c1cnoc1
InChIInChI=1S/C3H3NO.CH5N/c1-2-4-5-3-1;1-2/h1-3H;2H2,1H3
InChIKeySPEFMXOCQUPLLQ-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.25
Rot. Bonds

About methanamine;1,2-oxazole

methanamine;1,2-oxazole (PubChem CID 160898363) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is methanamine;1,2-oxazole.

Molecular Properties

Compound Namemethanamine;1,2-oxazole
PubChem CID160898363
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Namemethanamine;1,2-oxazole
SMILESCN.c1cnoc1
InChIInChI=1S/C3H3NO.CH5N/c1-2-4-5-3-1;1-2/h1-3H;2H2,1H3
InChIKeySPEFMXOCQUPLLQ-UHFFFAOYSA-N
XLogP0.25
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methanamine;1,2-oxazole 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 methanamine;1,2-oxazole?
The IUPAC name of methanamine;1,2-oxazole (CID 160898363) is methanamine;1,2-oxazole.
What is the SMILES notation for methanamine;1,2-oxazole?
The canonical SMILES for methanamine;1,2-oxazole is CN.c1cnoc1.
What is the InChIKey of methanamine;1,2-oxazole?
The InChIKey is SPEFMXOCQUPLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.CH5N/c1-2-4-5-3-1;1-2/h1-3H;2H2,1H3.
What are the key properties of methanamine;1,2-oxazole?
methanamine;1,2-oxazole has a molecular weight of 100.12 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1,2-oxazole is sourced from PubChem (CID 160898363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).