(3-bromo-1,2-oxazol-5-yl)methylazanium chloride

C4H6BrClN2O — CID 135056927

IUPAC(3-bromo-1,2-oxazol-5-yl)methylazanium chloride
SMILES[Cl-].[NH3+]Cc1cc(Br)no1
InChIInChI=1S/C4H5BrN2O.ClH/c5-4-1-3(2-6)8-7-4;/h1H,2,6H2;1H
InChIKeyDLEMWTVPLLIRRI-UHFFFAOYSA-N
MW213.46 g/mol
LogP-2.82
Rot. Bonds1

About (3-bromo-1,2-oxazol-5-yl)methylazanium chloride

(3-bromo-1,2-oxazol-5-yl)methylazanium chloride (PubChem CID 135056927) has the molecular formula C4H6BrClN2O and a molecular weight of 213.46 g/mol. Its IUPAC name is (3-bromo-1,2-oxazol-5-yl)methylazanium chloride.

Molecular Properties

Compound Name(3-bromo-1,2-oxazol-5-yl)methylazanium chloride
PubChem CID135056927
Molecular FormulaC4H6BrClN2O
Molecular Weight213.46 g/mol
Exact Mass211.94
IUPAC Name(3-bromo-1,2-oxazol-5-yl)methylazanium chloride
SMILES[Cl-].[NH3+]Cc1cc(Br)no1
InChIInChI=1S/C4H5BrN2O.ClH/c5-4-1-3(2-6)8-7-4;/h1H,2,6H2;1H
InChIKeyDLEMWTVPLLIRRI-UHFFFAOYSA-N
XLogP-2.82
TPSA53.67 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.46
LogP ≤ 5-2.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1,2-oxazol-5-yl)methylazanium chloride?
The IUPAC name of (3-bromo-1,2-oxazol-5-yl)methylazanium chloride (CID 135056927) is (3-bromo-1,2-oxazol-5-yl)methylazanium chloride.
What is the SMILES notation for (3-bromo-1,2-oxazol-5-yl)methylazanium chloride?
The canonical SMILES for (3-bromo-1,2-oxazol-5-yl)methylazanium chloride is [Cl-].[NH3+]Cc1cc(Br)no1.
What is the InChIKey of (3-bromo-1,2-oxazol-5-yl)methylazanium chloride?
The InChIKey is DLEMWTVPLLIRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2O.ClH/c5-4-1-3(2-6)8-7-4;/h1H,2,6H2;1H.
What are the key properties of (3-bromo-1,2-oxazol-5-yl)methylazanium chloride?
(3-bromo-1,2-oxazol-5-yl)methylazanium chloride has a molecular weight of 213.46 g/mol, XLogP of -2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1,2-oxazol-5-yl)methylazanium chloride is sourced from PubChem (CID 135056927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).