1,2-oxazol-4-ylmethanamine

C4H6N2O — CID 10486803

IUPAC1,2-oxazol-4-ylmethanamine
SMILESNCc1cnoc1
InChIInChI=1S/C4H6N2O/c5-1-4-2-6-7-3-4/h2-3H,1,5H2
InChIKeyXETGVWXXGWZBDG-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.13
Rot. Bonds1

About 1,2-oxazol-4-ylmethanamine

1,2-oxazol-4-ylmethanamine (PubChem CID 10486803) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 1,2-oxazol-4-ylmethanamine.

Molecular Properties

Compound Name1,2-oxazol-4-ylmethanamine
PubChem CID10486803
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name1,2-oxazol-4-ylmethanamine
SMILESNCc1cnoc1
InChIInChI=1S/C4H6N2O/c5-1-4-2-6-7-3-4/h2-3H,1,5H2
InChIKeyXETGVWXXGWZBDG-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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Related Compounds

4-Methyl-1,2-oxazole
CID 12150354
4-(Bromomethyl)-1,2-oxazole
CID 12018275
4-Methyl-1,2-oxazol-5-amine
CID 12559270
4-(Chloromethyl)-1,2-oxazole
CID 21698363
1,2-Oxazole-4-carbaldehyde
CID 21779029
(1,2-Oxazol-4-yl)methanamine hydrochloride
CID 22274230
4-(Trifluoromethyl)isoxazole
CID 53733448
1,2-Oxazole-4-carbonitrile
CID 15590756
4-Isoxazolecarbaldehyde oxime
CID 14738062
4-Isoxazolecarboxamide
CID 18329011
4-(Difluoromethyl)-1,2-oxazole
CID 105427152
4-(Fluoromethyl)-1,2-oxazole
CID 117274283

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-4-ylmethanamine?
The IUPAC name of 1,2-oxazol-4-ylmethanamine (CID 10486803) is 1,2-oxazol-4-ylmethanamine.
What is the SMILES notation for 1,2-oxazol-4-ylmethanamine?
The canonical SMILES for 1,2-oxazol-4-ylmethanamine is NCc1cnoc1.
What is the InChIKey of 1,2-oxazol-4-ylmethanamine?
The InChIKey is XETGVWXXGWZBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c5-1-4-2-6-7-3-4/h2-3H,1,5H2.
What are the key properties of 1,2-oxazol-4-ylmethanamine?
1,2-oxazol-4-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-4-ylmethanamine is sourced from PubChem (CID 10486803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).