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

C5H9ClN2O — CID 53412065

IUPAC(2-methyl-1,3-oxazol-4-yl)methanamine;hydrochloride
SMILESCc1nc(CN)co1.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-4-7-5(2-6)3-8-4;/h3H,2,6H2,1H3;1H
InChIKeyVVHBHIQCIRZTDE-UHFFFAOYSA-N
MW148.59 g/mol
LogP0.86
Rot. Bonds1

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

(2-methyl-1,3-oxazol-4-yl)methanamine;hydrochloride (PubChem CID 53412065) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is (2-methyl-1,3-oxazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-methyl-1,3-oxazol-4-yl)methanamine;hydrochloride
PubChem CID53412065
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC Name(2-methyl-1,3-oxazol-4-yl)methanamine;hydrochloride
SMILESCc1nc(CN)co1.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-4-7-5(2-6)3-8-4;/h3H,2,6H2,1H3;1H
InChIKeyVVHBHIQCIRZTDE-UHFFFAOYSA-N
XLogP0.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-oxazol-4-yl)methanamine;hydrochloride?
The IUPAC name of (2-methyl-1,3-oxazol-4-yl)methanamine;hydrochloride (CID 53412065) is (2-methyl-1,3-oxazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-methyl-1,3-oxazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for (2-methyl-1,3-oxazol-4-yl)methanamine;hydrochloride is Cc1nc(CN)co1.Cl.
What is the InChIKey of (2-methyl-1,3-oxazol-4-yl)methanamine;hydrochloride?
The InChIKey is VVHBHIQCIRZTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c1-4-7-5(2-6)3-8-4;/h3H,2,6H2,1H3;1H.
What are the key properties of (2-methyl-1,3-oxazol-4-yl)methanamine;hydrochloride?
(2-methyl-1,3-oxazol-4-yl)methanamine;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-oxazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 53412065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).