6-bromo-5-chloro-2-methyl-1,3-benzoxazole

C8H5BrClNO — CID 58487438

IUPAC6-bromo-5-chloro-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(Cl)c(Br)cc2o1
InChIInChI=1S/C8H5BrClNO/c1-4-11-7-3-6(10)5(9)2-8(7)12-4/h2-3H,1H3
InChIKeySGDUGBKJZQVEDT-UHFFFAOYSA-N
MW246.49 g/mol
LogP3.55
Rot. Bonds

About 6-bromo-5-chloro-2-methyl-1,3-benzoxazole

6-bromo-5-chloro-2-methyl-1,3-benzoxazole (PubChem CID 58487438) has the molecular formula C8H5BrClNO and a molecular weight of 246.49 g/mol. Its IUPAC name is 6-bromo-5-chloro-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-bromo-5-chloro-2-methyl-1,3-benzoxazole
PubChem CID58487438
Molecular FormulaC8H5BrClNO
Molecular Weight246.49 g/mol
Exact Mass244.92
IUPAC Name6-bromo-5-chloro-2-methyl-1,3-benzoxazole
SMILESCc1nc2cc(Cl)c(Br)cc2o1
InChIInChI=1S/C8H5BrClNO/c1-4-11-7-3-6(10)5(9)2-8(7)12-4/h2-3H,1H3
InChIKeySGDUGBKJZQVEDT-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-2-methyl-1,3-benzoxazole?
The IUPAC name of 6-bromo-5-chloro-2-methyl-1,3-benzoxazole (CID 58487438) is 6-bromo-5-chloro-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 6-bromo-5-chloro-2-methyl-1,3-benzoxazole?
The canonical SMILES for 6-bromo-5-chloro-2-methyl-1,3-benzoxazole is Cc1nc2cc(Cl)c(Br)cc2o1.
What is the InChIKey of 6-bromo-5-chloro-2-methyl-1,3-benzoxazole?
The InChIKey is SGDUGBKJZQVEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNO/c1-4-11-7-3-6(10)5(9)2-8(7)12-4/h2-3H,1H3.
What are the key properties of 6-bromo-5-chloro-2-methyl-1,3-benzoxazole?
6-bromo-5-chloro-2-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 6-bromo-5-chloro-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 58487438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).