(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride

C5H11ClN2O — CID 46737050

IUPAC(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCC1=NOC(CN)C1.Cl
InChIInChI=1S/C5H10N2O.ClH/c1-4-2-5(3-6)8-7-4;/h5H,2-3,6H2,1H3;1H
InChIKeyUMNTWZSDXYQGMR-UHFFFAOYSA-N
MW150.61 g/mol
LogP0.53
Rot. Bonds1

About (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride

(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride (PubChem CID 46737050) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride
PubChem CID46737050
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC Name(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCC1=NOC(CN)C1.Cl
InChIInChI=1S/C5H10N2O.ClH/c1-4-2-5(3-6)8-7-4;/h5H,2-3,6H2,1H3;1H
InChIKeyUMNTWZSDXYQGMR-UHFFFAOYSA-N
XLogP0.53
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride (CID 46737050) is (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride is CC1=NOC(CN)C1.Cl.
What is the InChIKey of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride?
The InChIKey is UMNTWZSDXYQGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.ClH/c1-4-2-5(3-6)8-7-4;/h5H,2-3,6H2,1H3;1H.
What are the key properties of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride?
(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride has a molecular weight of 150.61 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 46737050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).