5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole

C17H22N4O — CID 133321766

IUPAC5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESC=CC1CCN(c2cc(-c3nc(C(C)C)no3)ccn2)CC1
InChIInChI=1S/C17H22N4O/c1-4-13-6-9-21(10-7-13)15-11-14(5-8-18-15)17-19-16(12(2)3)20-22-17/h4-5,8,11-13H,1,6-7,9-10H2,2-3H3
InChIKeyYPYSRXQFALOPGP-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.66
Rot. Bonds4

About 5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 133321766) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID133321766
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESC=CC1CCN(c2cc(-c3nc(C(C)C)no3)ccn2)CC1
InChIInChI=1S/C17H22N4O/c1-4-13-6-9-21(10-7-13)15-11-14(5-8-18-15)17-19-16(12(2)3)20-22-17/h4-5,8,11-13H,1,6-7,9-10H2,2-3H3
InChIKeyYPYSRXQFALOPGP-UHFFFAOYSA-N
XLogP3.66
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059747
methyl 4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 133319821
3-propan-2-yl-5-[2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole
CID 133448829
5-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 71871479
5-[2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133320315
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine
CID 154755868
N-(1-cyclobutylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133417791
3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 71978085
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-amine
CID 56770198
N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178762
5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133333521
[1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone
CID 53178781

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 133321766) is 5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole is C=CC1CCN(c2cc(-c3nc(C(C)C)no3)ccn2)CC1.
What is the InChIKey of 5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is YPYSRXQFALOPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-13-6-9-21(10-7-13)15-11-14(5-8-18-15)17-19-16(12(2)3)20-22-17/h4-5,8,11-13H,1,6-7,9-10H2,2-3H3.
What are the key properties of 5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 298.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 133321766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).