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

C8H6BrNO — CID 105465683

IUPAC4-bromo-3-methyl-2,1-benzoxazole
SMILESCc1onc2cccc(Br)c12
InChIInChI=1S/C8H6BrNO/c1-5-8-6(9)3-2-4-7(8)10-11-5/h2-4H,1H3
InChIKeyXRMGEXHWHRSLTL-UHFFFAOYSA-N
MW212.05 g/mol
LogP2.90
Rot. Bonds

About 4-bromo-3-methyl-2,1-benzoxazole

4-bromo-3-methyl-2,1-benzoxazole (PubChem CID 105465683) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 4-bromo-3-methyl-2,1-benzoxazole.

Molecular Properties

Compound Name4-bromo-3-methyl-2,1-benzoxazole
PubChem CID105465683
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name4-bromo-3-methyl-2,1-benzoxazole
SMILESCc1onc2cccc(Br)c12
InChIInChI=1S/C8H6BrNO/c1-5-8-6(9)3-2-4-7(8)10-11-5/h2-4H,1H3
InChIKeyXRMGEXHWHRSLTL-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

4-bromo-N-methyl-2,1-benzoxazol-3-amine
CID 83803903
4-methoxy-3-methyl-2,1-benzoxazole
CID 119091546
2-(3-methyl-2,1-benzoxazol-4-yl)propanoic acid
CID 105457076
5-bromo-2-methylquinazolin-4-amine
CID 133060351
5-bromoquinolin-4-amine
CID 71742979
5-bromo-3-methyl-2,1-benzoxazole;ethane
CID 90694027
3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine
CID 84811801
1-bromo-8-methylnaphthalene
CID 4250949
4-ethoxy-2,1-benzoxazol-3-amine
CID 146278299
N-(2-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17174295
5-bromoquinoline;ethane
CID 142484600
3,4-dibromo-2-methyl-1-benzothiophene
CID 131074757

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-2,1-benzoxazole?
The IUPAC name of 4-bromo-3-methyl-2,1-benzoxazole (CID 105465683) is 4-bromo-3-methyl-2,1-benzoxazole.
What is the SMILES notation for 4-bromo-3-methyl-2,1-benzoxazole?
The canonical SMILES for 4-bromo-3-methyl-2,1-benzoxazole is Cc1onc2cccc(Br)c12.
What is the InChIKey of 4-bromo-3-methyl-2,1-benzoxazole?
The InChIKey is XRMGEXHWHRSLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c1-5-8-6(9)3-2-4-7(8)10-11-5/h2-4H,1H3.
What are the key properties of 4-bromo-3-methyl-2,1-benzoxazole?
4-bromo-3-methyl-2,1-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 4-bromo-3-methyl-2,1-benzoxazole is sourced from PubChem (CID 105465683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).