1,2-oxazol-3-ylmethanamine

C4H6N2O — CID 15079262

IUPAC1,2-oxazol-3-ylmethanamine
SMILESNCc1ccon1
InChIInChI=1S/C4H6N2O/c5-3-4-1-2-7-6-4/h1-2H,3,5H2
InChIKeyNRYCMMCUURADTR-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.13
Rot. Bonds1

About 1,2-oxazol-3-ylmethanamine

1,2-oxazol-3-ylmethanamine (PubChem CID 15079262) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 1,2-oxazol-3-ylmethanamine.

Molecular Properties

Compound Name1,2-oxazol-3-ylmethanamine
PubChem CID15079262
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name1,2-oxazol-3-ylmethanamine
SMILESNCc1ccon1
InChIInChI=1S/C4H6N2O/c5-3-4-1-2-7-6-4/h1-2H,3,5H2
InChIKeyNRYCMMCUURADTR-UHFFFAOYSA-N
XLogP0.13
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-3-ylmethanamine?
The IUPAC name of 1,2-oxazol-3-ylmethanamine (CID 15079262) is 1,2-oxazol-3-ylmethanamine.
What is the SMILES notation for 1,2-oxazol-3-ylmethanamine?
The canonical SMILES for 1,2-oxazol-3-ylmethanamine is NCc1ccon1.
What is the InChIKey of 1,2-oxazol-3-ylmethanamine?
The InChIKey is NRYCMMCUURADTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c5-3-4-1-2-7-6-4/h1-2H,3,5H2.
What are the key properties of 1,2-oxazol-3-ylmethanamine?
1,2-oxazol-3-ylmethanamine has a molecular weight of 98.10 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-3-ylmethanamine is sourced from PubChem (CID 15079262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).