2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole

C24H21FN2O — CID 70310265

IUPAC2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole
SMILESFCCCCc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C24H21FN2O/c25-17-7-6-11-20-10-4-5-12-22(20)24-27-26-23(28-24)21-15-13-19(14-16-21)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11,17H2
InChIKeyUTCXKBPSKJVEQD-UHFFFAOYSA-N
MW372.44 g/mol
LogP6.36
Rot. Bonds7

About 2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole

2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole (PubChem CID 70310265) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole
PubChem CID70310265
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole
SMILESFCCCCc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C24H21FN2O/c25-17-7-6-11-20-10-4-5-12-22(20)24-27-26-23(28-24)21-15-13-19(14-16-21)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11,17H2
InChIKeyUTCXKBPSKJVEQD-UHFFFAOYSA-N
XLogP6.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 158668516
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
CID 59855596
2-[2,3-bis(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 102173738
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
2-[2-(2-phenylethyl)phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 68720518
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
1-(5-fluoropentyl)-4-phenylbenzene
CID 20663493
beryllium;hydride;2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
CID 174487083
4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 59228387
2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 70775236
1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene
CID 57000067

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole (CID 70310265) is 2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole is FCCCCc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of 2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole?
The InChIKey is UTCXKBPSKJVEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c25-17-7-6-11-20-10-4-5-12-22(20)24-27-26-23(28-24)21-15-13-19(14-16-21)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11,17H2.
What are the key properties of 2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole?
2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole has a molecular weight of 372.44 g/mol, XLogP of 6.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorobutyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 70310265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).