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

C6H10BrClN2O — CID 66727315

IUPAC(1S)-1-(3-bromo-1,2-oxazol-5-yl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1cc(Br)no1.Cl
InChIInChI=1S/C6H9BrN2O.ClH/c1-2-4(8)5-3-6(7)9-10-5;/h3-4H,2,8H2,1H3;1H/t4-;/m0./s1
InChIKeyQALMRYJAYMTZHK-WCCKRBBISA-N
MW241.52 g/mol
LogP2.27
Rot. Bonds2

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

(1S)-1-(3-bromo-1,2-oxazol-5-yl)propan-1-amine;hydrochloride (PubChem CID 66727315) has the molecular formula C6H10BrClN2O and a molecular weight of 241.52 g/mol. Its IUPAC name is (1S)-1-(3-bromo-1,2-oxazol-5-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-bromo-1,2-oxazol-5-yl)propan-1-amine;hydrochloride
PubChem CID66727315
Molecular FormulaC6H10BrClN2O
Molecular Weight241.52 g/mol
Exact Mass239.97
IUPAC Name(1S)-1-(3-bromo-1,2-oxazol-5-yl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1cc(Br)no1.Cl
InChIInChI=1S/C6H9BrN2O.ClH/c1-2-4(8)5-3-6(7)9-10-5;/h3-4H,2,8H2,1H3;1H/t4-;/m0./s1
InChIKeyQALMRYJAYMTZHK-WCCKRBBISA-N
XLogP2.27
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.52
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromo-1,2-oxazol-5-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(3-bromo-1,2-oxazol-5-yl)propan-1-amine;hydrochloride (CID 66727315) is (1S)-1-(3-bromo-1,2-oxazol-5-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-bromo-1,2-oxazol-5-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(3-bromo-1,2-oxazol-5-yl)propan-1-amine;hydrochloride is CC[C@H](N)c1cc(Br)no1.Cl.
What is the InChIKey of (1S)-1-(3-bromo-1,2-oxazol-5-yl)propan-1-amine;hydrochloride?
The InChIKey is QALMRYJAYMTZHK-WCCKRBBISA-N. The full InChI is InChI=1S/C6H9BrN2O.ClH/c1-2-4(8)5-3-6(7)9-10-5;/h3-4H,2,8H2,1H3;1H/t4-;/m0./s1.
What are the key properties of (1S)-1-(3-bromo-1,2-oxazol-5-yl)propan-1-amine;hydrochloride?
(1S)-1-(3-bromo-1,2-oxazol-5-yl)propan-1-amine;hydrochloride has a molecular weight of 241.52 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromo-1,2-oxazol-5-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 66727315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).