2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole

C24H22N2O — CID 15868581

IUPAC2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
SMILESCCCCc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C24H22N2O/c1-2-3-7-18-10-12-21(13-11-18)23-25-26-24(27-23)22-16-14-20(15-17-22)19-8-5-4-6-9-19/h4-6,8-17H,2-3,7H2,1H3
InChIKeyPFUYMJWEILZLIK-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.41
Rot. Bonds6

About 2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole

2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole (PubChem CID 15868581) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
PubChem CID15868581
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
SMILESCCCCc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C24H22N2O/c1-2-3-7-18-10-12-21(13-11-18)23-25-26-24(27-23)22-16-14-20(15-17-22)19-8-5-4-6-9-19/h4-6,8-17H,2-3,7H2,1H3
InChIKeyPFUYMJWEILZLIK-UHFFFAOYSA-N
XLogP6.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 59935127
1-butyl-4-phenylbenzene;ethane
CID 143743409
2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole
CID 163686771
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-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
2-(4-bromophenyl)-5-(4-octylphenyl)-1,3,4-oxadiazole
CID 23522268
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
2-[4-(4-butyliodanuidylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 143808738
1-pentadecyl-4-phenylbenzene
CID 57166115
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-[4-(4-butylphenyl)cyclohexa-2,4-dien-1-yl]-5-phenyl-1,3,4-oxadiazole
CID 163813514
2-(4-butylphenyl)-4-phenyl-1,3-oxazole
CID 56669361

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole (CID 15868581) is 2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole is CCCCc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?
The InChIKey is PFUYMJWEILZLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-2-3-7-18-10-12-21(13-11-18)23-25-26-24(27-23)22-16-14-20(15-17-22)19-8-5-4-6-9-19/h4-6,8-17H,2-3,7H2,1H3.
What are the key properties of 2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole has a molecular weight of 354.45 g/mol, XLogP of 6.41, 6 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-phenylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 15868581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).