7-bromo-6-methyl-1,2-benzoxazole

C8H6BrNO — CID 130063933

IUPAC7-bromo-6-methyl-1,2-benzoxazole
SMILESCc1ccc2cnoc2c1Br
InChIInChI=1S/C8H6BrNO/c1-5-2-3-6-4-10-11-8(6)7(5)9/h2-4H,1H3
InChIKeyAGJMYBGYWPWWFI-UHFFFAOYSA-N
MW212.05 g/mol
LogP2.90
Rot. Bonds

About 7-bromo-6-methyl-1,2-benzoxazole

7-bromo-6-methyl-1,2-benzoxazole (PubChem CID 130063933) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 7-bromo-6-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name7-bromo-6-methyl-1,2-benzoxazole
PubChem CID130063933
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name7-bromo-6-methyl-1,2-benzoxazole
SMILESCc1ccc2cnoc2c1Br
InChIInChI=1S/C8H6BrNO/c1-5-2-3-6-4-10-11-8(6)7(5)9/h2-4H,1H3
InChIKeyAGJMYBGYWPWWFI-UHFFFAOYSA-N
XLogP2.90
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-7-ethyl-1,2-benzoxazole
CID 130064075
7-methyl-[1,2]oxazolo[5,4-c]pyridine
CID 118899227
benzo[g][1,2]benzoxazole
CID 11030249
4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine
CID 83548488
ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine
CID 143976601
7-fluoro-1,2-benzoxazole
CID 54539975
5-bromo-7-methoxy-1,2-benzoxazole
CID 83669479
7-methoxy-1,2-benzoxazole-6-carboxylic acid
CID 117109900
N-(5-bromo-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43806378
2-bromo-3-fluoro-1,4-dimethylbenzene
CID 59160806
4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117454876
6-bromo-7-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2-benzoxazole
CID 166491094

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methyl-1,2-benzoxazole?
The IUPAC name of 7-bromo-6-methyl-1,2-benzoxazole (CID 130063933) is 7-bromo-6-methyl-1,2-benzoxazole.
What is the SMILES notation for 7-bromo-6-methyl-1,2-benzoxazole?
The canonical SMILES for 7-bromo-6-methyl-1,2-benzoxazole is Cc1ccc2cnoc2c1Br.
What is the InChIKey of 7-bromo-6-methyl-1,2-benzoxazole?
The InChIKey is AGJMYBGYWPWWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c1-5-2-3-6-4-10-11-8(6)7(5)9/h2-4H,1H3.
What are the key properties of 7-bromo-6-methyl-1,2-benzoxazole?
7-bromo-6-methyl-1,2-benzoxazole has a molecular weight of 212.05 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methyl-1,2-benzoxazole is sourced from PubChem (CID 130063933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).