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

C8H6BrNO2 — CID 105485119

IUPAC3-bromo-7-methoxy-2,1-benzoxazole
SMILESCOc1cccc2c(Br)onc12
InChIInChI=1S/C8H6BrNO2/c1-11-6-4-2-3-5-7(6)10-12-8(5)9/h2-4H,1H3
InChIKeyGPBWSEXRFGUZIF-UHFFFAOYSA-N
MW228.04 g/mol
LogP2.60
Rot. Bonds1

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

3-bromo-7-methoxy-2,1-benzoxazole (PubChem CID 105485119) has the molecular formula C8H6BrNO2 and a molecular weight of 228.04 g/mol. Its IUPAC name is 3-bromo-7-methoxy-2,1-benzoxazole.

Molecular Properties

Compound Name3-bromo-7-methoxy-2,1-benzoxazole
PubChem CID105485119
Molecular FormulaC8H6BrNO2
Molecular Weight228.04 g/mol
Exact Mass226.96
IUPAC Name3-bromo-7-methoxy-2,1-benzoxazole
SMILESCOc1cccc2c(Br)onc12
InChIInChI=1S/C8H6BrNO2/c1-11-6-4-2-3-5-7(6)10-12-8(5)9/h2-4H,1H3
InChIKeyGPBWSEXRFGUZIF-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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Related Compounds

3-bromo-7-fluoro-2,1-benzoxazole
CID 105469340
2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine
CID 105458924
3-(7-methoxy-2,1-benzoxazol-3-yl)propanoic acid
CID 105477082
3-bromo-7-methoxy-2-methylindazole
CID 84728148
4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 79555964
(8-methoxy-4-methylquinazolin-2-yl)methanamine
CID 84777278
2-bromo-8-methoxyquinoxaline
CID 133063850
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole
CID 112571983
7-methoxy-2-methylindazol-3-amine
CID 177108697
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
2-ethoxy-8-methoxy-4-methylquinoline
CID 70328444

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methoxy-2,1-benzoxazole?
The IUPAC name of 3-bromo-7-methoxy-2,1-benzoxazole (CID 105485119) is 3-bromo-7-methoxy-2,1-benzoxazole.
What is the SMILES notation for 3-bromo-7-methoxy-2,1-benzoxazole?
The canonical SMILES for 3-bromo-7-methoxy-2,1-benzoxazole is COc1cccc2c(Br)onc12.
What is the InChIKey of 3-bromo-7-methoxy-2,1-benzoxazole?
The InChIKey is GPBWSEXRFGUZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO2/c1-11-6-4-2-3-5-7(6)10-12-8(5)9/h2-4H,1H3.
What are the key properties of 3-bromo-7-methoxy-2,1-benzoxazole?
3-bromo-7-methoxy-2,1-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 3-bromo-7-methoxy-2,1-benzoxazole is sourced from PubChem (CID 105485119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).