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

C17H23N3O2 — CID 111110264

IUPAC1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H23N3O2/c1-2-14(21)12-20-11-7-6-10-15(20)17-18-16(19-22-17)13-8-4-3-5-9-13/h3-5,8-9,14-15,21H,2,6-7,10-12H2,1H3
InChIKeyQEFAQVGZMYTUKP-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.03
Rot. Bonds5

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

1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol (PubChem CID 111110264) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol
PubChem CID111110264
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H23N3O2/c1-2-14(21)12-20-11-7-6-10-15(20)17-18-16(19-22-17)13-8-4-3-5-9-13/h3-5,8-9,14-15,21H,2,6-7,10-12H2,1H3
InChIKeyQEFAQVGZMYTUKP-UHFFFAOYSA-N
XLogP3.03
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol
CID 111110263
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
(4-ethylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4018131
1-[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 812538
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 4992104
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 42765295
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
2-[(2S)-oxolan-2-yl]-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 94820729
(4-ethylphenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813101
(2S)-1-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 7338284
5-[1-(cyclopropylmethyl)piperidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191879

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol?
The IUPAC name of 1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol (CID 111110264) is 1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol?
The canonical SMILES for 1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol is CCC(O)CN1CCCCC1c1nc(-c2ccccc2)no1.
What is the InChIKey of 1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol?
The InChIKey is QEFAQVGZMYTUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-14(21)12-20-11-7-6-10-15(20)17-18-16(19-22-17)13-8-4-3-5-9-13/h3-5,8-9,14-15,21H,2,6-7,10-12H2,1H3.
What are the key properties of 1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol?
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 111110264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).