4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde

C20H20N2O2 — CID 90092140

IUPAC4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
SMILESO=Cc1ccc(-c2noc(CCCCCc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N2O2/c23-15-17-11-13-18(14-12-17)20-21-19(24-22-20)10-6-2-5-9-16-7-3-1-4-8-16/h1,3-4,7-8,11-15H,2,5-6,9-10H2
InChIKeyWDNKSPBZGWXITA-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.50
Rot. Bonds8

About 4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde

4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde (PubChem CID 90092140) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde.

Molecular Properties

Compound Name4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
PubChem CID90092140
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
SMILESO=Cc1ccc(-c2noc(CCCCCc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N2O2/c23-15-17-11-13-18(14-12-17)20-21-19(24-22-20)10-6-2-5-9-16-7-3-1-4-8-16/h1,3-4,7-8,11-15H,2,5-6,9-10H2
InChIKeyWDNKSPBZGWXITA-UHFFFAOYSA-N
XLogP4.50
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 90091839
4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525067
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
oxo-bis[3-[[4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]propoxy]phosphanium
CID 90120408
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 17101225
2-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pentyl]isoindole-1,3-dione
CID 2231979
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752286
1-[4-[5-(4-methylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-(4-phenylbutoxy)ethanamine
CID 162755662
N-ethyl-3-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 8836343
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde?
The IUPAC name of 4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde (CID 90092140) is 4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde.
What is the SMILES notation for 4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde?
The canonical SMILES for 4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde is O=Cc1ccc(-c2noc(CCCCCc3ccccc3)n2)cc1.
What is the InChIKey of 4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde?
The InChIKey is WDNKSPBZGWXITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-15-17-11-13-18(14-12-17)20-21-19(24-22-20)10-6-2-5-9-16-7-3-1-4-8-16/h1,3-4,7-8,11-15H,2,5-6,9-10H2.
What are the key properties of 4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde?
4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde has a molecular weight of 320.39 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde is sourced from PubChem (CID 90092140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).