1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol

C11H11BrN2O2 — CID 102660664

IUPAC1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1cc(-c2nc(C(C)O)no2)ccc1Br
InChIInChI=1S/C11H11BrN2O2/c1-6-5-8(3-4-9(6)12)11-13-10(7(2)15)14-16-11/h3-5,7,15H,1-2H3
InChIKeyLXYUXYAWEFDRTE-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.86
Rot. Bonds2

About 1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol

1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 102660664) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID102660664
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1cc(-c2nc(C(C)O)no2)ccc1Br
InChIInChI=1S/C11H11BrN2O2/c1-6-5-8(3-4-9(6)12)11-13-10(7(2)15)14-16-11/h3-5,7,15H,1-2H3
InChIKeyLXYUXYAWEFDRTE-UHFFFAOYSA-N
XLogP2.86
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751281
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660575
4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 102660571
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 107989163
1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660777
5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 79605219
4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylaniline
CID 63717575
1-[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660767
5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 82489563
4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751285
2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938026

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 102660664) is 1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol is Cc1cc(-c2nc(C(C)O)no2)ccc1Br.
What is the InChIKey of 1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is LXYUXYAWEFDRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-6-5-8(3-4-9(6)12)11-13-10(7(2)15)14-16-11/h3-5,7,15H,1-2H3.
What are the key properties of 1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 283.12 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 102660664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).