1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol

C16H21N3O2 — CID 116808945

IUPAC1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
SMILESCC(c1nc(N2CCCCC2)no1)C(O)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-12(14(20)13-8-4-2-5-9-13)15-17-16(18-21-15)19-10-6-3-7-11-19/h2,4-5,8-9,12,14,20H,3,6-7,10-11H2,1H3
InChIKeyIJVBPHFZPQHCIZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.90
Rot. Bonds4

About 1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol

1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol (PubChem CID 116808945) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
PubChem CID116808945
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
SMILESCC(c1nc(N2CCCCC2)no1)C(O)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-12(14(20)13-8-4-2-5-9-13)15-17-16(18-21-15)19-10-6-3-7-11-19/h2,4-5,8-9,12,14,20H,3,6-7,10-11H2,1H3
InChIKeyIJVBPHFZPQHCIZ-UHFFFAOYSA-N
XLogP2.90
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116807952
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 116807937
1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 104847315
5-(2-phenylpropyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 167920358
1-amino-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116806822
(1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104902244
2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807285
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 116808910
(R)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898845
(S)-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898844
(1S)-3-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104983514
3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 116808961

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol?
The IUPAC name of 1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol (CID 116808945) is 1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol.
What is the SMILES notation for 1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol?
The canonical SMILES for 1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol is CC(c1nc(N2CCCCC2)no1)C(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol?
The InChIKey is IJVBPHFZPQHCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(14(20)13-8-4-2-5-9-13)15-17-16(18-21-15)19-10-6-3-7-11-19/h2,4-5,8-9,12,14,20H,3,6-7,10-11H2,1H3.
What are the key properties of 1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol?
1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol has a molecular weight of 287.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol is sourced from PubChem (CID 116808945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).