1,3-oxazol-2-ylmethanamine;hydrochloride

C4H7ClN2O — CID 46912060

IUPAC1,3-oxazol-2-ylmethanamine;hydrochloride
SMILESCl.NCc1ncco1
InChIInChI=1S/C4H6N2O.ClH/c5-3-4-6-1-2-7-4;/h1-2H,3,5H2;1H
InChIKeyYMJMSYXLHSSGTP-UHFFFAOYSA-N
MW134.57 g/mol
LogP0.56
Rot. Bonds1

About 1,3-oxazol-2-ylmethanamine;hydrochloride

1,3-oxazol-2-ylmethanamine;hydrochloride (PubChem CID 46912060) has the molecular formula C4H7ClN2O and a molecular weight of 134.57 g/mol. Its IUPAC name is 1,3-oxazol-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1,3-oxazol-2-ylmethanamine;hydrochloride
PubChem CID46912060
Molecular FormulaC4H7ClN2O
Molecular Weight134.57 g/mol
Exact Mass134.02
IUPAC Name1,3-oxazol-2-ylmethanamine;hydrochloride
SMILESCl.NCc1ncco1
InChIInChI=1S/C4H6N2O.ClH/c5-3-4-6-1-2-7-4;/h1-2H,3,5H2;1H
InChIKeyYMJMSYXLHSSGTP-UHFFFAOYSA-N
XLogP0.56
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.57
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-2-ylmethanamine;hydrochloride?
The IUPAC name of 1,3-oxazol-2-ylmethanamine;hydrochloride (CID 46912060) is 1,3-oxazol-2-ylmethanamine;hydrochloride.
What is the SMILES notation for 1,3-oxazol-2-ylmethanamine;hydrochloride?
The canonical SMILES for 1,3-oxazol-2-ylmethanamine;hydrochloride is Cl.NCc1ncco1.
What is the InChIKey of 1,3-oxazol-2-ylmethanamine;hydrochloride?
The InChIKey is YMJMSYXLHSSGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.ClH/c5-3-4-6-1-2-7-4;/h1-2H,3,5H2;1H.
What are the key properties of 1,3-oxazol-2-ylmethanamine;hydrochloride?
1,3-oxazol-2-ylmethanamine;hydrochloride has a molecular weight of 134.57 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 46912060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).