(3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride

C7H13ClN2O — CID 46736471

IUPAC(3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCCCc1cc(CN)on1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-2-3-6-4-7(5-8)10-9-6;/h4H,2-3,5,8H2,1H3;1H
InChIKeyREFODIGHPMZEFH-UHFFFAOYSA-N
MW176.65 g/mol
LogP1.51
Rot. Bonds3

About (3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride

(3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride (PubChem CID 46736471) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is (3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride
PubChem CID46736471
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name(3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCCCc1cc(CN)on1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-2-3-6-4-7(5-8)10-9-6;/h4H,2-3,5,8H2,1H3;1H
InChIKeyREFODIGHPMZEFH-UHFFFAOYSA-N
XLogP1.51
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride (CID 46736471) is (3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride is CCCc1cc(CN)on1.Cl.
What is the InChIKey of (3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride?
The InChIKey is REFODIGHPMZEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c1-2-3-6-4-7(5-8)10-9-6;/h4H,2-3,5,8H2,1H3;1H.
What are the key properties of (3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride?
(3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 46736471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).