5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol

C18H25N3O2 — CID 111110263

IUPAC5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol
SMILESOCCCCCN1CCCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H25N3O2/c22-14-8-2-6-12-21-13-7-5-11-16(21)18-19-17(20-23-18)15-9-3-1-4-10-15/h1,3-4,9-10,16,22H,2,5-8,11-14H2
InChIKeyVLLHMBRINYZHAG-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.43
Rot. Bonds7

About 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol

5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol (PubChem CID 111110263) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol
PubChem CID111110263
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol
SMILESOCCCCCN1CCCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H25N3O2/c22-14-8-2-6-12-21-13-7-5-11-16(21)18-19-17(20-23-18)15-9-3-1-4-10-15/h1,3-4,9-10,16,22H,2,5-8,11-14H2
InChIKeyVLLHMBRINYZHAG-UHFFFAOYSA-N
XLogP3.43
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol
CID 111110264
cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
7-amino-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 119770964
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
2-phenyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625631
2-(2-chlorophenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 98042141
2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 94820729
(4-ethylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4018131
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 4992104
2-(cyclopropylmethylamino)-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 119770979
2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 95719382
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol?
The IUPAC name of 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol (CID 111110263) is 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol is OCCCCCN1CCCCC1c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol?
The InChIKey is VLLHMBRINYZHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-14-8-2-6-12-21-13-7-5-11-16(21)18-19-17(20-23-18)15-9-3-1-4-10-15/h1,3-4,9-10,16,22H,2,5-8,11-14H2.
What are the key properties of 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol?
5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol has a molecular weight of 315.42 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol is sourced from PubChem (CID 111110263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).