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

C30H30N4O2 — CID 59935127

IUPAC2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESCCCCc1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(CCCC)cc5)o4)c3)o2)cc1
InChIInChI=1S/C30H30N4O2/c1-3-5-8-21-12-16-23(17-13-21)27-31-33-29(35-27)25-10-7-11-26(20-25)30-34-32-28(36-30)24-18-14-22(15-19-24)9-6-4-2/h7,10-20H,3-6,8-9H2,1-2H3
InChIKeyWTMXCBFEDLUDLC-UHFFFAOYSA-N
MW478.60 g/mol
LogP7.81
Rot. Bonds10

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

2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 59935127) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
PubChem CID59935127
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESCCCCc1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(CCCC)cc5)o4)c3)o2)cc1
InChIInChI=1S/C30H30N4O2/c1-3-5-8-21-12-16-23(17-13-21)27-31-33-29(35-27)25-10-7-11-26(20-25)30-34-32-28(36-30)24-18-14-22(15-19-24)9-6-4-2/h7,10-20H,3-6,8-9H2,1-2H3
InChIKeyWTMXCBFEDLUDLC-UHFFFAOYSA-N
XLogP7.81
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
2-[3-(4-ethenylphenyl)phenyl]-5-(4-octylphenyl)-1,3,4-oxadiazole
CID 23522269
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
2-(4-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-1,3,4-oxadiazole
CID 163686771
2-(4-bromophenyl)-5-(4-octylphenyl)-1,3,4-oxadiazole
CID 23522268
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 56697618
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol
CID 174398804
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
1-butyl-4-phenylbenzene;ethane
CID 143743409

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (CID 59935127) is 2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is CCCCc1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(CCCC)cc5)o4)c3)o2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is WTMXCBFEDLUDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-3-5-8-21-12-16-23(17-13-21)27-31-33-29(35-27)25-10-7-11-26(20-25)30-34-32-28(36-30)24-18-14-22(15-19-24)9-6-4-2/h7,10-20H,3-6,8-9H2,1-2H3.
What are the key properties of 2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 478.60 g/mol, XLogP of 7.81, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 59935127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).