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

C17H15BrN2O — CID 43913092

IUPAC2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
SMILESCCC(c1ccccc1)c1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C17H15BrN2O/c1-2-15(12-7-4-3-5-8-12)17-20-19-16(21-17)13-9-6-10-14(18)11-13/h3-11,15H,2H2,1H3
InChIKeyGEIRZHMYNOHLOS-UHFFFAOYSA-N
MW343.22 g/mol
LogP5.04
Rot. Bonds4

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

2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole (PubChem CID 43913092) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
PubChem CID43913092
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
SMILESCCC(c1ccccc1)c1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C17H15BrN2O/c1-2-15(12-7-4-3-5-8-12)17-20-19-16(21-17)13-9-6-10-14(18)11-13/h3-11,15H,2H2,1H3
InChIKeyGEIRZHMYNOHLOS-UHFFFAOYSA-N
XLogP5.04
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.22
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 54593869
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-diphenylpropanamide
CID 43976114
2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
CID 43913128
2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole
CID 82488242
N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137199
N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
CID 135015503
CID 163815297
CID 163815297
1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62164426
2-(4-bromophenyl)-5-pentan-3-yl-1,3,4-oxadiazole
CID 71062822
2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 62856201
2-[chloro(phenyl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 43245573
2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164297

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole (CID 43913092) is 2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole is CCC(c1ccccc1)c1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of 2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole?
The InChIKey is GEIRZHMYNOHLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-2-15(12-7-4-3-5-8-12)17-20-19-16(21-17)13-9-6-10-14(18)11-13/h3-11,15H,2H2,1H3.
What are the key properties of 2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole?
2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole has a molecular weight of 343.22 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 43913092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).