2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride

C6H10BrClN2O — CID 21292273

IUPAC2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride
SMILESCC(C)(N)c1cc(Br)no1.Cl
InChIInChI=1S/C6H9BrN2O.ClH/c1-6(2,8)4-3-5(7)9-10-4;/h3H,8H2,1-2H3;1H
InChIKeyIQFGQZNENKGQJB-UHFFFAOYSA-N
MW241.52 g/mol
LogP2.05
Rot. Bonds1

About 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride

2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride (PubChem CID 21292273) has the molecular formula C6H10BrClN2O and a molecular weight of 241.52 g/mol. Its IUPAC name is 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride
PubChem CID21292273
Molecular FormulaC6H10BrClN2O
Molecular Weight241.52 g/mol
Exact Mass239.97
IUPAC Name2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride
SMILESCC(C)(N)c1cc(Br)no1.Cl
InChIInChI=1S/C6H9BrN2O.ClH/c1-6(2,8)4-3-5(7)9-10-4;/h3H,8H2,1-2H3;1H
InChIKeyIQFGQZNENKGQJB-UHFFFAOYSA-N
XLogP2.05
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.52
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride?
The IUPAC name of 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride (CID 21292273) is 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride is CC(C)(N)c1cc(Br)no1.Cl.
What is the InChIKey of 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride?
The InChIKey is IQFGQZNENKGQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O.ClH/c1-6(2,8)4-3-5(7)9-10-4;/h3H,8H2,1-2H3;1H.
What are the key properties of 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride?
2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride has a molecular weight of 241.52 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1,2-oxazol-5-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 21292273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).