(5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

C20H20N6O2 — CID 75281188

IUPAC(5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
SMILESO=C(C1CC(c2ccccc2)NN1)N1CC(c2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C20H20N6O2/c27-20(17-10-16(23-24-17)13-4-2-1-3-5-13)26-11-15(12-26)19-22-18(25-28-19)14-6-8-21-9-7-14/h1-9,15-17,23-24H,10-12H2
InChIKeyJVSXOCQCNOFCEQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.67
Rot. Bonds4

About (5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

(5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (PubChem CID 75281188) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is (5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
PubChem CID75281188
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name(5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
SMILESO=C(C1CC(c2ccccc2)NN1)N1CC(c2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C20H20N6O2/c27-20(17-10-16(23-24-17)13-4-2-1-3-5-13)26-11-15(12-26)19-22-18(25-28-19)14-6-8-21-9-7-14/h1-9,15-17,23-24H,10-12H2
InChIKeyJVSXOCQCNOFCEQ-UHFFFAOYSA-N
XLogP1.67
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 75281242
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 75281167
3-[1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 134081008
(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 133269656
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
CID 134051851
6-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]diazinan-3-one
CID 75281240
(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 133110178
[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 87053040
1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 76985388
5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 128791883
(2,5-dimethyl-1H-pyrrol-3-yl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 154770708
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096

Frequently Asked Questions

What is the IUPAC name of (5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The IUPAC name of (5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (CID 75281188) is (5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The canonical SMILES for (5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is O=C(C1CC(c2ccccc2)NN1)N1CC(c2nc(-c3ccncc3)no2)C1.
What is the InChIKey of (5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The InChIKey is JVSXOCQCNOFCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c27-20(17-10-16(23-24-17)13-4-2-1-3-5-13)26-11-15(12-26)19-22-18(25-28-19)14-6-8-21-9-7-14/h1-9,15-17,23-24H,10-12H2.
What are the key properties of (5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
(5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone has a molecular weight of 376.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylpyrazolidin-3-yl)-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 75281188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).