(3-methyl-1,2-oxazol-4-yl)methanamine

C5H8N2O — CID 53393483

IUPAC(3-methyl-1,2-oxazol-4-yl)methanamine
SMILESCc1nocc1CN
InChIInChI=1S/C5H8N2O/c1-4-5(2-6)3-8-7-4/h3H,2,6H2,1H3
InChIKeyJRPBQFVNYPRYAJ-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.44
Rot. Bonds1

About (3-methyl-1,2-oxazol-4-yl)methanamine

(3-methyl-1,2-oxazol-4-yl)methanamine (PubChem CID 53393483) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-4-yl)methanamine
PubChem CID53393483
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(3-methyl-1,2-oxazol-4-yl)methanamine
SMILESCc1nocc1CN
InChIInChI=1S/C5H8N2O/c1-4-5(2-6)3-8-7-4/h3H,2,6H2,1H3
InChIKeyJRPBQFVNYPRYAJ-UHFFFAOYSA-N
XLogP0.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-4-yl)methanamine?
The IUPAC name of (3-methyl-1,2-oxazol-4-yl)methanamine (CID 53393483) is (3-methyl-1,2-oxazol-4-yl)methanamine.
What is the SMILES notation for (3-methyl-1,2-oxazol-4-yl)methanamine?
The canonical SMILES for (3-methyl-1,2-oxazol-4-yl)methanamine is Cc1nocc1CN.
What is the InChIKey of (3-methyl-1,2-oxazol-4-yl)methanamine?
The InChIKey is JRPBQFVNYPRYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-5(2-6)3-8-7-4/h3H,2,6H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-4-yl)methanamine?
(3-methyl-1,2-oxazol-4-yl)methanamine has a molecular weight of 112.13 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-4-yl)methanamine is sourced from PubChem (CID 53393483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).