5-bromo-7-methoxy-1,2-benzoxazole

C8H6BrNO2 — CID 83669479

IUPAC5-bromo-7-methoxy-1,2-benzoxazole
SMILESCOc1cc(Br)cc2cnoc12
InChIInChI=1S/C8H6BrNO2/c1-11-7-3-6(9)2-5-4-10-12-8(5)7/h2-4H,1H3
InChIKeyJHTNTBVJELTENG-UHFFFAOYSA-N
MW228.04 g/mol
LogP2.60
Rot. Bonds1

About 5-bromo-7-methoxy-1,2-benzoxazole

5-bromo-7-methoxy-1,2-benzoxazole (PubChem CID 83669479) has the molecular formula C8H6BrNO2 and a molecular weight of 228.04 g/mol. Its IUPAC name is 5-bromo-7-methoxy-1,2-benzoxazole.

Molecular Properties

Compound Name5-bromo-7-methoxy-1,2-benzoxazole
PubChem CID83669479
Molecular FormulaC8H6BrNO2
Molecular Weight228.04 g/mol
Exact Mass226.96
IUPAC Name5-bromo-7-methoxy-1,2-benzoxazole
SMILESCOc1cc(Br)cc2cnoc12
InChIInChI=1S/C8H6BrNO2/c1-11-7-3-6(9)2-5-4-10-12-8(5)7/h2-4H,1H3
InChIKeyJHTNTBVJELTENG-UHFFFAOYSA-N
XLogP2.60
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.04
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methoxy-1,2-benzoxazole?
The IUPAC name of 5-bromo-7-methoxy-1,2-benzoxazole (CID 83669479) is 5-bromo-7-methoxy-1,2-benzoxazole.
What is the SMILES notation for 5-bromo-7-methoxy-1,2-benzoxazole?
The canonical SMILES for 5-bromo-7-methoxy-1,2-benzoxazole is COc1cc(Br)cc2cnoc12.
What is the InChIKey of 5-bromo-7-methoxy-1,2-benzoxazole?
The InChIKey is JHTNTBVJELTENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO2/c1-11-7-3-6(9)2-5-4-10-12-8(5)7/h2-4H,1H3.
What are the key properties of 5-bromo-7-methoxy-1,2-benzoxazole?
5-bromo-7-methoxy-1,2-benzoxazole has a molecular weight of 228.04 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methoxy-1,2-benzoxazole is sourced from PubChem (CID 83669479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).