3-methyl-2H-1,3-oxazol-4-amine

C4H8N2O — CID 155149471

IUPAC3-methyl-2H-1,3-oxazol-4-amine
SMILESCN1COC=C1N
InChIInChI=1S/C4H8N2O/c1-6-3-7-2-4(6)5/h2H,3,5H2,1H3
InChIKeyJLUUFFPWSULACA-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.34
Rot. Bonds

About 3-methyl-2H-1,3-oxazol-4-amine

3-methyl-2H-1,3-oxazol-4-amine (PubChem CID 155149471) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-methyl-2H-1,3-oxazol-4-amine.

Molecular Properties

Compound Name3-methyl-2H-1,3-oxazol-4-amine
PubChem CID155149471
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name3-methyl-2H-1,3-oxazol-4-amine
SMILESCN1COC=C1N
InChIInChI=1S/C4H8N2O/c1-6-3-7-2-4(6)5/h2H,3,5H2,1H3
InChIKeyJLUUFFPWSULACA-UHFFFAOYSA-N
XLogP-0.34
TPSA38.49 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 ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-1,3-oxazol-4-amine?
The IUPAC name of 3-methyl-2H-1,3-oxazol-4-amine (CID 155149471) is 3-methyl-2H-1,3-oxazol-4-amine.
What is the SMILES notation for 3-methyl-2H-1,3-oxazol-4-amine?
The canonical SMILES for 3-methyl-2H-1,3-oxazol-4-amine is CN1COC=C1N.
What is the InChIKey of 3-methyl-2H-1,3-oxazol-4-amine?
The InChIKey is JLUUFFPWSULACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-6-3-7-2-4(6)5/h2H,3,5H2,1H3.
What are the key properties of 3-methyl-2H-1,3-oxazol-4-amine?
3-methyl-2H-1,3-oxazol-4-amine has a molecular weight of 100.12 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-1,3-oxazol-4-amine is sourced from PubChem (CID 155149471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).