2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole

C26H24N2O — CID 163686771

IUPAC2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole
SMILESC=Cc1ccc(-c2ccc(-c3nnc(-c4ccc(CCCC)cc4)o3)cc2)cc1
InChIInChI=1S/C26H24N2O/c1-3-5-6-20-9-13-23(14-10-20)25-27-28-26(29-25)24-17-15-22(16-18-24)21-11-7-19(4-2)8-12-21/h4,7-18H,2-3,5-6H2,1H3
InChIKeyJPNMGHROKOHJAI-UHFFFAOYSA-N
MW380.49 g/mol
LogP7.06
Rot. Bonds7

About 2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole

2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole (PubChem CID 163686771) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole
PubChem CID163686771
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole
SMILESC=Cc1ccc(-c2ccc(-c3nnc(-c4ccc(CCCC)cc4)o3)cc2)cc1
InChIInChI=1S/C26H24N2O/c1-3-5-6-20-9-13-23(14-10-20)25-27-28-26(29-25)24-17-15-22(16-18-24)21-11-7-19(4-2)8-12-21/h4,7-18H,2-3,5-6H2,1H3
InChIKeyJPNMGHROKOHJAI-UHFFFAOYSA-N
XLogP7.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-ethenylphenyl)phenyl]-5-(4-octylphenyl)-1,3,4-oxadiazole
CID 23522269
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 59935127
2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 59816346
2-(4-octylphenyl)-5-[6-[5-(4-octylphenyl)-1,3,4-oxadiazol-2-yl]-1,2,4,5-tetrazin-3-yl]-1,3,4-oxadiazole
CID 10651109
1-ethenyl-4-hexylbenzene
CID 21225742
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
2-(4-bromophenyl)-5-(4-octylphenyl)-1,3,4-oxadiazole
CID 23522268
2-[4-[(E)-2-(2,5-dibutoxyphenyl)ethenyl]phenyl]-5-(4-ethenylphenyl)-1,3,4-oxadiazole
CID 102212549
6-[4-[5-[4-(4-pentylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]hexyl prop-2-enoate
CID 87610857
1-butyl-4-[4-(prop-2-enoxymethyl)phenyl]benzene
CID 67893959
1-ethenyl-4-(4-methylphenyl)benzene;hexane
CID 142178486

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole (CID 163686771) is 2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole is C=Cc1ccc(-c2ccc(-c3nnc(-c4ccc(CCCC)cc4)o3)cc2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is JPNMGHROKOHJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-3-5-6-20-9-13-23(14-10-20)25-27-28-26(29-25)24-17-15-22(16-18-24)21-11-7-19(4-2)8-12-21/h4,7-18H,2-3,5-6H2,1H3.
What are the key properties of 2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole?
2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 380.49 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 163686771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).