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

C20H22N2O2 — CID 90091839

IUPAC[4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2noc(CCCCCc3ccccc3)n2)cc1
InChIInChI=1S/C20H22N2O2/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/h1,3-4,7-8,11-14,23H,2,5-6,9-10,15H2
InChIKeyOPPJKFATRYDTJI-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.18
Rot. Bonds8

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

[4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (PubChem CID 90091839) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
PubChem CID90091839
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name[4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESOCc1ccc(-c2noc(CCCCCc3ccccc3)n2)cc1
InChIInChI=1S/C20H22N2O2/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/h1,3-4,7-8,11-14,23H,2,5-6,9-10,15H2
InChIKeyOPPJKFATRYDTJI-UHFFFAOYSA-N
XLogP4.18
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 90092140
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
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
oxo-bis[3-[[4-[5-(4-phenylbutyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]propoxy]phosphanium
CID 90120408
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191177
N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 17101225
5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 62717251
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

Frequently Asked Questions

What is the IUPAC name of [4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The IUPAC name of [4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (CID 90091839) is [4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The canonical SMILES for [4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is OCc1ccc(-c2noc(CCCCCc3ccccc3)n2)cc1.
What is the InChIKey of [4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The InChIKey is OPPJKFATRYDTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/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/h1,3-4,7-8,11-14,23H,2,5-6,9-10,15H2.
What are the key properties of [4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
[4-[5-(5-phenylpentyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol has a molecular weight of 322.41 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 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]phenyl]methanol is sourced from PubChem (CID 90091839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).