3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one

C22H20N6O4 — CID 154833813

IUPAC3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C22H20N6O4/c29-18(14-28-22(30)31-21(25-28)15-6-2-1-3-7-15)27-12-9-16(10-13-27)20-24-19(26-32-20)17-8-4-5-11-23-17/h1-8,11,16H,9-10,12-14H2
InChIKeyKTZRVSGIWUGFQK-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.35
Rot. Bonds5

About 3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one

3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one (PubChem CID 154833813) has the molecular formula C22H20N6O4 and a molecular weight of 432.44 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one
PubChem CID154833813
Molecular FormulaC22H20N6O4
Molecular Weight432.44 g/mol
Exact Mass432.15
IUPAC Name3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C22H20N6O4/c29-18(14-28-22(30)31-21(25-28)15-6-2-1-3-7-15)27-12-9-16(10-13-27)20-24-19(26-32-20)17-8-4-5-11-23-17/h1-8,11,16H,9-10,12-14H2
InChIKeyKTZRVSGIWUGFQK-UHFFFAOYSA-N
XLogP2.35
TPSA120.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

2-azido-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 24802761
1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
CID 154833761
2-(methylamino)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120704250
4-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzoic acid
CID 167763221
3-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119870857
2-cyclopentyl-1-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92577668
(2R)-2-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870841
pyridin-2-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577676
4-[2-hydroxy-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86903919
4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024882
2-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 86888454
3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503538

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one (CID 154833813) is 3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one is O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCC(c2nc(-c3ccccn3)no2)CC1.
What is the InChIKey of 3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The InChIKey is KTZRVSGIWUGFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4/c29-18(14-28-22(30)31-21(25-28)15-6-2-1-3-7-15)27-12-9-16(10-13-27)20-24-19(26-32-20)17-8-4-5-11-23-17/h1-8,11,16H,9-10,12-14H2.
What are the key properties of 3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one?
3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one has a molecular weight of 432.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 154833813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).