5-bromo-7-chloro-4-methyl-1,3-benzoxazole

C8H5BrClNO — CID 82232211

IUPAC5-bromo-7-chloro-4-methyl-1,3-benzoxazole
SMILESCc1c(Br)cc(Cl)c2ocnc12
InChIInChI=1S/C8H5BrClNO/c1-4-5(9)2-6(10)8-7(4)11-3-12-8/h2-3H,1H3
InChIKeyXLIQUOQVGWAMNN-UHFFFAOYSA-N
MW246.49 g/mol
LogP3.55
Rot. Bonds

About 5-bromo-7-chloro-4-methyl-1,3-benzoxazole

5-bromo-7-chloro-4-methyl-1,3-benzoxazole (PubChem CID 82232211) has the molecular formula C8H5BrClNO and a molecular weight of 246.49 g/mol. Its IUPAC name is 5-bromo-7-chloro-4-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-bromo-7-chloro-4-methyl-1,3-benzoxazole
PubChem CID82232211
Molecular FormulaC8H5BrClNO
Molecular Weight246.49 g/mol
Exact Mass244.92
IUPAC Name5-bromo-7-chloro-4-methyl-1,3-benzoxazole
SMILESCc1c(Br)cc(Cl)c2ocnc12
InChIInChI=1S/C8H5BrClNO/c1-4-5(9)2-6(10)8-7(4)11-3-12-8/h2-3H,1H3
InChIKeyXLIQUOQVGWAMNN-UHFFFAOYSA-N
XLogP3.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-dimethyl-1,3-benzoxazol-5-amine
CID 82229632
7-chloro-6-methyl-1,3-benzoxazole
CID 161041002
6-bromo-4-chloro-1,3-benzoxazole
CID 82095374
3-(7-chloro-5-fluoro-1,3-benzoxazol-4-yl)-5-methyl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 70275413
7-bromo-5-fluoro-1,3-benzoxazole
CID 82095343
1-bromo-3,5-dichloro-2-methylbenzene
CID 10263661
ethyl 4-bromo-6-methyl-1,3-benzoxazole-7-carboxylate
CID 168825360
1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
CID 84711440
3-bromo-5-chloro-2,6-dimethylbenzaldehyde
CID 84737534
7-bromo-1,3-benzoxazole
CID 53408472
3-bromo-5-chloro-2,6-dimethylpyridine
CID 130058647
1,2-dibromo-4,5-dichlorobenzene
CID 4137564

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-4-methyl-1,3-benzoxazole?
The IUPAC name of 5-bromo-7-chloro-4-methyl-1,3-benzoxazole (CID 82232211) is 5-bromo-7-chloro-4-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-bromo-7-chloro-4-methyl-1,3-benzoxazole?
The canonical SMILES for 5-bromo-7-chloro-4-methyl-1,3-benzoxazole is Cc1c(Br)cc(Cl)c2ocnc12.
What is the InChIKey of 5-bromo-7-chloro-4-methyl-1,3-benzoxazole?
The InChIKey is XLIQUOQVGWAMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNO/c1-4-5(9)2-6(10)8-7(4)11-3-12-8/h2-3H,1H3.
What are the key properties of 5-bromo-7-chloro-4-methyl-1,3-benzoxazole?
5-bromo-7-chloro-4-methyl-1,3-benzoxazole has a molecular weight of 246.49 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-4-methyl-1,3-benzoxazole is sourced from PubChem (CID 82232211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).