2-bromo-5-methoxy-1,3-benzoxazole

C8H6BrNO2 — CID 83382782

IUPAC2-bromo-5-methoxy-1,3-benzoxazole
SMILESCOc1ccc2oc(Br)nc2c1
InChIInChI=1S/C8H6BrNO2/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3
InChIKeyCLQYWJQOXNSCPO-UHFFFAOYSA-N
MW228.04 g/mol
LogP2.60
Rot. Bonds1

About 2-bromo-5-methoxy-1,3-benzoxazole

2-bromo-5-methoxy-1,3-benzoxazole (PubChem CID 83382782) has the molecular formula C8H6BrNO2 and a molecular weight of 228.04 g/mol. Its IUPAC name is 2-bromo-5-methoxy-1,3-benzoxazole.

Molecular Properties

Compound Name2-bromo-5-methoxy-1,3-benzoxazole
PubChem CID83382782
Molecular FormulaC8H6BrNO2
Molecular Weight228.04 g/mol
Exact Mass226.96
IUPAC Name2-bromo-5-methoxy-1,3-benzoxazole
SMILESCOc1ccc2oc(Br)nc2c1
InChIInChI=1S/C8H6BrNO2/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3
InChIKeyCLQYWJQOXNSCPO-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

ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 176938802
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 145041643
2-bromo-5-(difluoromethoxy)-1,3-benzoxazole
CID 119024290
2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole
CID 95910527
2-bromo-1-(5-methoxy-1,3-benzoxazol-2-yl)ethanone
CID 131374321
(1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 83859186
4,6-dibromo-3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylaniline
CID 17274141
2-(isocyanomethyl)-5-methoxy-1,3-benzoxazole
CID 83483455
5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 95910994
1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine
CID 82622741
2-hexyl-5-methoxy-1,3-benzoxazole
CID 11276348
2-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole
CID 69363330

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-1,3-benzoxazole?
The IUPAC name of 2-bromo-5-methoxy-1,3-benzoxazole (CID 83382782) is 2-bromo-5-methoxy-1,3-benzoxazole.
What is the SMILES notation for 2-bromo-5-methoxy-1,3-benzoxazole?
The canonical SMILES for 2-bromo-5-methoxy-1,3-benzoxazole is COc1ccc2oc(Br)nc2c1.
What is the InChIKey of 2-bromo-5-methoxy-1,3-benzoxazole?
The InChIKey is CLQYWJQOXNSCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO2/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3.
What are the key properties of 2-bromo-5-methoxy-1,3-benzoxazole?
2-bromo-5-methoxy-1,3-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 2-bromo-5-methoxy-1,3-benzoxazole is sourced from PubChem (CID 83382782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).