5-bromo-2-methyl-1,3-benzoxazol-7-ol

C8H6BrNO2 — CID 125494330

IUPAC5-bromo-2-methyl-1,3-benzoxazol-7-ol
SMILESCc1nc2cc(Br)cc(O)c2o1
InChIInChI=1S/C8H6BrNO2/c1-4-10-6-2-5(9)3-7(11)8(6)12-4/h2-3,11H,1H3
InChIKeyHFMCHIHNMXARBO-UHFFFAOYSA-N
MW228.04 g/mol
LogP2.60
Rot. Bonds

About 5-bromo-2-methyl-1,3-benzoxazol-7-ol

5-bromo-2-methyl-1,3-benzoxazol-7-ol (PubChem CID 125494330) has the molecular formula C8H6BrNO2 and a molecular weight of 228.04 g/mol. Its IUPAC name is 5-bromo-2-methyl-1,3-benzoxazol-7-ol.

Molecular Properties

Compound Name5-bromo-2-methyl-1,3-benzoxazol-7-ol
PubChem CID125494330
Molecular FormulaC8H6BrNO2
Molecular Weight228.04 g/mol
Exact Mass226.96
IUPAC Name5-bromo-2-methyl-1,3-benzoxazol-7-ol
SMILESCc1nc2cc(Br)cc(O)c2o1
InChIInChI=1S/C8H6BrNO2/c1-4-10-6-2-5(9)3-7(11)8(6)12-4/h2-3,11H,1H3
InChIKeyHFMCHIHNMXARBO-UHFFFAOYSA-N
XLogP2.60
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.04
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)acetic acid
CID 83903209
N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-chloroacetamide
CID 146094446
7-bromo-2-methyl-1,3-benzoxazole-5-carboxylic acid
CID 83901167
N-(5-bromo-2-methyl-1,3-benzoxazol-7-yl)-2-(cyanomethylsulfanyl)acetamide
CID 99833187
5-bromo-2-methyl-1,3-benzothiazol-7-ol
CID 118386441
7-bromo-2-methylquinazolin-5-ol
CID 139338417
2,5-dimethyl-1,3-benzoxazole-7-carboxylic acid
CID 69088021
1-[(5-bromo-2-methyl-1,3-benzoxazol-7-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090195
N-[4-[2-[(5-bromo-2-methyl-1,3-benzoxazol-7-yl)carbamoylamino]ethyl]phenyl]acetamide
CID 99793928
4-bromo-2,6-dimethylpyrano[3,2-f][1,3]benzoxazol-8-one
CID 86105942
7-bromo-5-butyl-2-methyl-1,3-benzoxazole
CID 82233379
2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531010

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1,3-benzoxazol-7-ol?
The IUPAC name of 5-bromo-2-methyl-1,3-benzoxazol-7-ol (CID 125494330) is 5-bromo-2-methyl-1,3-benzoxazol-7-ol.
What is the SMILES notation for 5-bromo-2-methyl-1,3-benzoxazol-7-ol?
The canonical SMILES for 5-bromo-2-methyl-1,3-benzoxazol-7-ol is Cc1nc2cc(Br)cc(O)c2o1.
What is the InChIKey of 5-bromo-2-methyl-1,3-benzoxazol-7-ol?
The InChIKey is HFMCHIHNMXARBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO2/c1-4-10-6-2-5(9)3-7(11)8(6)12-4/h2-3,11H,1H3.
What are the key properties of 5-bromo-2-methyl-1,3-benzoxazol-7-ol?
5-bromo-2-methyl-1,3-benzoxazol-7-ol has a molecular weight of 228.04 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1,3-benzoxazol-7-ol is sourced from PubChem (CID 125494330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).