5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride

C6H8BrClN2O — CID 167730454

IUPAC5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride
SMILESBrc1cc(C2CNC2)on1.Cl
InChIInChI=1S/C6H7BrN2O.ClH/c7-6-1-5(10-9-6)4-2-8-3-4;/h1,4,8H,2-3H2;1H
InChIKeyDKWBNRNXBZAIOQ-UHFFFAOYSA-N
MW239.50 g/mol
LogP1.55
Rot. Bonds1

About 5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride

5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride (PubChem CID 167730454) has the molecular formula C6H8BrClN2O and a molecular weight of 239.50 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride
PubChem CID167730454
Molecular FormulaC6H8BrClN2O
Molecular Weight239.50 g/mol
Exact Mass237.95
IUPAC Name5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride
SMILESBrc1cc(C2CNC2)on1.Cl
InChIInChI=1S/C6H7BrN2O.ClH/c7-6-1-5(10-9-6)4-2-8-3-4;/h1,4,8H,2-3H2;1H
InChIKeyDKWBNRNXBZAIOQ-UHFFFAOYSA-N
XLogP1.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.50
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride?
The IUPAC name of 5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride (CID 167730454) is 5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride.
What is the SMILES notation for 5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride?
The canonical SMILES for 5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride is Brc1cc(C2CNC2)on1.Cl.
What is the InChIKey of 5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride?
The InChIKey is DKWBNRNXBZAIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O.ClH/c7-6-1-5(10-9-6)4-2-8-3-4;/h1,4,8H,2-3H2;1H.
What are the key properties of 5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride?
5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride has a molecular weight of 239.50 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-bromo-1,2-oxazole;hydrochloride is sourced from PubChem (CID 167730454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).