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

C8H6BrNO — CID 83835183

IUPAC3-bromo-7-methyl-1,2-benzoxazole
SMILESCc1cccc2c(Br)noc12
InChIInChI=1S/C8H6BrNO/c1-5-3-2-4-6-7(5)11-10-8(6)9/h2-4H,1H3
InChIKeyOPFXBYOYIRMZAC-UHFFFAOYSA-N
MW212.05 g/mol
LogP2.90
Rot. Bonds

About 3-bromo-7-methyl-1,2-benzoxazole

3-bromo-7-methyl-1,2-benzoxazole (PubChem CID 83835183) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 3-bromo-7-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name3-bromo-7-methyl-1,2-benzoxazole
PubChem CID83835183
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name3-bromo-7-methyl-1,2-benzoxazole
SMILESCc1cccc2c(Br)noc12
InChIInChI=1S/C8H6BrNO/c1-5-3-2-4-6-7(5)11-10-8(6)9/h2-4H,1H3
InChIKeyOPFXBYOYIRMZAC-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

N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide
CID 146613972
N'-methyl-N'-(7-methyl-1,2-benzoxazol-3-yl)ethane-1,2-diamine
CID 83832881
2-[methyl-(7-methyl-1,2-benzoxazol-3-yl)amino]propanoic acid
CID 83841382
N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide;molecular hydrogen;morpholine
CID 176691152
1,5-dimethylnaphthalene
CID 162159355
10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
1,4-dibromo-3,8-dimethylisoquinoline
CID 165441244
1-(7-bromo-1,2-benzoxazol-3-yl)ethanol
CID 84703063
2-bromo-3-methylpyridine;ethane
CID 143610978
2-bromo-3-methylpyridine;zinc
CID 87255964
N-(3,5-difluorophenyl)-2-(7-methyl-1,2-benzoxazol-3-yl)acetamide
CID 7314830
7-methyl-3-propan-2-yl-2,1-benzoxazole
CID 88983483

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methyl-1,2-benzoxazole?
The IUPAC name of 3-bromo-7-methyl-1,2-benzoxazole (CID 83835183) is 3-bromo-7-methyl-1,2-benzoxazole.
What is the SMILES notation for 3-bromo-7-methyl-1,2-benzoxazole?
The canonical SMILES for 3-bromo-7-methyl-1,2-benzoxazole is Cc1cccc2c(Br)noc12.
What is the InChIKey of 3-bromo-7-methyl-1,2-benzoxazole?
The InChIKey is OPFXBYOYIRMZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c1-5-3-2-4-6-7(5)11-10-8(6)9/h2-4H,1H3.
What are the key properties of 3-bromo-7-methyl-1,2-benzoxazole?
3-bromo-7-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 3-bromo-7-methyl-1,2-benzoxazole is sourced from PubChem (CID 83835183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).