2-(dibromomethyl)-1,3-benzoxazole

C8H5Br2NO — CID 91619168

IUPAC2-(dibromomethyl)-1,3-benzoxazole
SMILESBrC(Br)c1nc2ccccc2o1
InChIInChI=1S/C8H5Br2NO/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H
InChIKeyONVDAQUASFZAHZ-UHFFFAOYSA-N
MW290.94 g/mol
LogP3.62
Rot. Bonds1

About 2-(dibromomethyl)-1,3-benzoxazole

2-(dibromomethyl)-1,3-benzoxazole (PubChem CID 91619168) has the molecular formula C8H5Br2NO and a molecular weight of 290.94 g/mol. Its IUPAC name is 2-(dibromomethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(dibromomethyl)-1,3-benzoxazole
PubChem CID91619168
Molecular FormulaC8H5Br2NO
Molecular Weight290.94 g/mol
Exact Mass288.87
IUPAC Name2-(dibromomethyl)-1,3-benzoxazole
SMILESBrC(Br)c1nc2ccccc2o1
InChIInChI=1S/C8H5Br2NO/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H
InChIKeyONVDAQUASFZAHZ-UHFFFAOYSA-N
XLogP3.62
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.94
LogP ≤ 53.62
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

[1,3-benzoxazol-2-yl(trimethylsilyl)methyl]-trimethylsilane
CID 58835908
2-(1,3-benzoxazol-2-yl)-3-methylbutan-1-ol
CID 116999943
2-heptan-4-yl-1,3-benzoxazole
CID 71228130
2-(1,3-benzoxazol-2-yl)-2-phenylethanamine
CID 55129005
2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449
2-(1-phenylbutan-2-yl)-1,3-benzoxazole
CID 166439592
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)butan-1-ol
CID 11665617
2-(1,3-benzoxazol-2-yl)-3,3-dimethylbutanenitrile
CID 70633338
zinc 2-(1,3-benzoxazol-2-yl)butanebis(thioate)
CID 88687444
2-[2-amino-2-(1,3-benzoxazol-2-yl)ethyl]phenol
CID 174575331
(2S)-2-amino-1-(1,3-benzoxazol-2-yl)-2-cyclopropylethanol
CID 58458983
2-aminophenol;1-(1,3-benzoxazol-2-yl)ethanol
CID 167676183

Frequently Asked Questions

What is the IUPAC name of 2-(dibromomethyl)-1,3-benzoxazole?
The IUPAC name of 2-(dibromomethyl)-1,3-benzoxazole (CID 91619168) is 2-(dibromomethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(dibromomethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(dibromomethyl)-1,3-benzoxazole is BrC(Br)c1nc2ccccc2o1.
What is the InChIKey of 2-(dibromomethyl)-1,3-benzoxazole?
The InChIKey is ONVDAQUASFZAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2NO/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H.
What are the key properties of 2-(dibromomethyl)-1,3-benzoxazole?
2-(dibromomethyl)-1,3-benzoxazole has a molecular weight of 290.94 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibromomethyl)-1,3-benzoxazole is sourced from PubChem (CID 91619168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).