5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C24H23N3O — CID 35216489

IUPAC5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCCCCc1ccc(-c2ccc(-c3nc(-c4cccnc4)no3)cc2)cc1
InChIInChI=1S/C24H23N3O/c1-2-3-4-6-18-8-10-19(11-9-18)20-12-14-21(15-13-20)24-26-23(27-28-24)22-7-5-16-25-17-22/h5,7-17H,2-4,6H2,1H3
InChIKeyAOMPGHHOGAIAPU-UHFFFAOYSA-N
MW369.47 g/mol
LogP6.20
Rot. Bonds7

About 5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 35216489) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID35216489
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCCCCc1ccc(-c2ccc(-c3nc(-c4cccnc4)no3)cc2)cc1
InChIInChI=1S/C24H23N3O/c1-2-3-4-6-18-8-10-19(11-9-18)20-12-14-21(15-13-20)24-26-23(27-28-24)22-7-5-16-25-17-22/h5,7-17H,2-4,6H2,1H3
InChIKeyAOMPGHHOGAIAPU-UHFFFAOYSA-N
XLogP6.20
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-5-(4-pentylphenyl)-1,2,4-oxadiazole
CID 2056306
5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 3417863
3-(4-heptoxyphenyl)-5-(4-heptylphenyl)-1,2,4-oxadiazole
CID 3095312
3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948
2-(4-butylphenyl)-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 154752705
5-hexyl-3-pyridin-3-yl-1,2-oxazole
CID 134695050
5-(4-pentylphenyl)pyrimidine
CID 56629303
N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine
CID 54332382
5-(2,5-dichloro-3-pyridinyl)-3-(4-heptylphenyl)-1,2,4-oxadiazole
CID 2800155
5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 59758751
5-pyridin-3-yl-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 4916274
1-pentadecyl-4-phenylbenzene
CID 57166115

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 35216489) is 5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole is CCCCCc1ccc(-c2ccc(-c3nc(-c4cccnc4)no3)cc2)cc1.
What is the InChIKey of 5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is AOMPGHHOGAIAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-2-3-4-6-18-8-10-19(11-9-18)20-12-14-21(15-13-20)24-26-23(27-28-24)22-7-5-16-25-17-22/h5,7-17H,2-4,6H2,1H3.
What are the key properties of 5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 369.47 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 35216489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).