5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole

C11H11BrN2O — CID 30029760

IUPAC5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2ccccc2Br)n1
InChIInChI=1S/C11H11BrN2O/c1-2-5-10-13-11(15-14-10)8-6-3-4-7-9(8)12/h3-4,6-7H,2,5H2,1H3
InChIKeyKWTKZIGDIOTSJK-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.45
Rot. Bonds3

About 5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole

5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole (PubChem CID 30029760) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole
PubChem CID30029760
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2ccccc2Br)n1
InChIInChI=1S/C11H11BrN2O/c1-2-5-10-13-11(15-14-10)8-6-3-4-7-9(8)12/h3-4,6-7H,2,5H2,1H3
InChIKeyKWTKZIGDIOTSJK-UHFFFAOYSA-N
XLogP3.45
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115079297
N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 43670382
3-(3-propyl-1,2,4-oxadiazol-5-yl)-1H-pyridine-2-thione
CID 135981687
5-(2-bromophenyl)-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole
CID 3935591
5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole
CID 130708265
2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 114375340
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
3-benzyl-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 3359504
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342352
1-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61323620

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole (CID 30029760) is 5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole is CCCc1noc(-c2ccccc2Br)n1.
What is the InChIKey of 5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole?
The InChIKey is KWTKZIGDIOTSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-2-5-10-13-11(15-14-10)8-6-3-4-7-9(8)12/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole?
5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole has a molecular weight of 267.13 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 30029760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).