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

C4H6BrClN2O — CID 21292272

IUPAC(3-bromo-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1cc(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
LogP1.32
Rot. Bonds1

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

(3-bromo-1,2-oxazol-5-yl)methanamine;hydrochloride (PubChem CID 21292272) 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)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-bromo-1,2-oxazol-5-yl)methanamine;hydrochloride
PubChem CID21292272
Molecular FormulaC4H6BrClN2O
Molecular Weight213.46 g/mol
Exact Mass211.94
IUPAC Name(3-bromo-1,2-oxazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1cc(Br)no1
InChIInChI=1S/C4H5BrN2O.ClH/c5-4-1-3(2-6)8-7-4;/h1H,2,6H2;1H
InChIKeyDLEMWTVPLLIRRI-UHFFFAOYSA-N
XLogP1.32
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1,2-oxazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (3-bromo-1,2-oxazol-5-yl)methanamine;hydrochloride (CID 21292272) is (3-bromo-1,2-oxazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-bromo-1,2-oxazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (3-bromo-1,2-oxazol-5-yl)methanamine;hydrochloride is Cl.NCc1cc(Br)no1.
What is the InChIKey of (3-bromo-1,2-oxazol-5-yl)methanamine;hydrochloride?
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)methanamine;hydrochloride?
(3-bromo-1,2-oxazol-5-yl)methanamine;hydrochloride has a molecular weight of 213.46 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1,2-oxazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 21292272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).