1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride

C7H13ClN2O — CID 155943307

IUPAC1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride
SMILESCc1nc(C(C)N)c(C)o1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-4(8)7-5(2)10-6(3)9-7;/h4H,8H2,1-3H3;1H
InChIKeyQOSWPDQOBQZPLI-UHFFFAOYSA-N
MW176.65 g/mol
LogP1.73
Rot. Bonds1

About 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride

1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride (PubChem CID 155943307) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride
PubChem CID155943307
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride
SMILESCc1nc(C(C)N)c(C)o1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-4(8)7-5(2)10-6(3)9-7;/h4H,8H2,1-3H3;1H
InChIKeyQOSWPDQOBQZPLI-UHFFFAOYSA-N
XLogP1.73
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride (CID 155943307) is 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride is Cc1nc(C(C)N)c(C)o1.Cl.
What is the InChIKey of 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride?
The InChIKey is QOSWPDQOBQZPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c1-4(8)7-5(2)10-6(3)9-7;/h4H,8H2,1-3H3;1H.
What are the key properties of 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride?
1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 155943307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).