1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol

C11H11BrN2O2 — CID 115079297

IUPAC1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
SMILESCC(O)Cc1noc(-c2ccccc2Br)n1
InChIInChI=1S/C11H11BrN2O2/c1-7(15)6-10-13-11(16-14-10)8-4-2-3-5-9(8)12/h2-5,7,15H,6H2,1H3
InChIKeyKYZFIKYPQDDZCA-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.42
Rot. Bonds3

About 1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol

1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol (PubChem CID 115079297) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
PubChem CID115079297
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
SMILESCC(O)Cc1noc(-c2ccccc2Br)n1
InChIInChI=1S/C11H11BrN2O2/c1-7(15)6-10-13-11(16-14-10)8-4-2-3-5-9(8)12/h2-5,7,15H,6H2,1H3
InChIKeyKYZFIKYPQDDZCA-UHFFFAOYSA-N
XLogP2.42
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole
CID 30029760
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115079631
2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136964522
2-methyl-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830538
1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115078804
1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653408
1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61323620
N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072
1-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 114018605
1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62660245
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]naphthalen-1-ol
CID 136852131

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol?
The IUPAC name of 1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol (CID 115079297) is 1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol.
What is the SMILES notation for 1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol?
The canonical SMILES for 1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol is CC(O)Cc1noc(-c2ccccc2Br)n1.
What is the InChIKey of 1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol?
The InChIKey is KYZFIKYPQDDZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7(15)6-10-13-11(16-14-10)8-4-2-3-5-9(8)12/h2-5,7,15H,6H2,1H3.
What are the key properties of 1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol?
1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol has a molecular weight of 283.12 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol is sourced from PubChem (CID 115079297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).