5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole

C8H4Br2ClNO — CID 155295915

IUPAC5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole
SMILESClc1cc(Br)cc2nc(CBr)oc12
InChIInChI=1S/C8H4Br2ClNO/c9-3-7-12-6-2-4(10)1-5(11)8(6)13-7/h1-2H,3H2
InChIKeyNLJIEEQNZBZLGH-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.14
Rot. Bonds1

About 5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole

5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole (PubChem CID 155295915) has the molecular formula C8H4Br2ClNO and a molecular weight of 325.39 g/mol. Its IUPAC name is 5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole.

Molecular Properties

Compound Name5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole
PubChem CID155295915
Molecular FormulaC8H4Br2ClNO
Molecular Weight325.39 g/mol
Exact Mass322.83
IUPAC Name5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole
SMILESClc1cc(Br)cc2nc(CBr)oc12
InChIInChI=1S/C8H4Br2ClNO/c9-3-7-12-6-2-4(10)1-5(11)8(6)13-7/h1-2H,3H2
InChIKeyNLJIEEQNZBZLGH-UHFFFAOYSA-N
XLogP4.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-7-chloro-N-methyl-1,3-benzoxazol-2-amine
CID 82233114
5,7-dichloro-2-(4-chlorobutyl)-1,3-benzoxazole
CID 107676446
5-bromo-4,7-dichloro-2-(chloromethyl)-1,3-benzoxazole
CID 10757724
1-cyclopropyl-2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethanamine
CID 107676305
1-(5-bromo-2-ethyl-1,3-benzoxazol-7-yl)ethanone
CID 82233371
5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole
CID 82233690
5-bromo-2-butyl-1,3-benzoxazol-7-amine
CID 104728838
1-(7-chloro-2-ethyl-1,3-benzoxazol-5-yl)ethanone
CID 82231129
6-bromo-4,7-dichloro-2-ethyl-1,3-benzoxazole
CID 82233934
5-bromo-2-(chloromethyl)-1,3-benzoxazole
CID 14204208
3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 107676406
5-bromo-2-(2-methylbutyl)-1,3-benzoxazol-7-amine
CID 114874873

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole?
The IUPAC name of 5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole (CID 155295915) is 5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole.
What is the SMILES notation for 5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole?
The canonical SMILES for 5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole is Clc1cc(Br)cc2nc(CBr)oc12.
What is the InChIKey of 5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole?
The InChIKey is NLJIEEQNZBZLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2ClNO/c9-3-7-12-6-2-4(10)1-5(11)8(6)13-7/h1-2H,3H2.
What are the key properties of 5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole?
5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole has a molecular weight of 325.39 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(bromomethyl)-7-chloro-1,3-benzoxazole is sourced from PubChem (CID 155295915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).