5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole

C13H15N3O — CID 63317448

IUPAC5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(Cc2nc(C3CCCN3)no2)cc1
InChIInChI=1S/C13H15N3O/c1-2-5-10(6-3-1)9-12-15-13(16-17-12)11-7-4-8-14-11/h1-3,5-6,11,14H,4,7-9H2
InChIKeyAOQNPTPZIGYGAM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.08
Rot. Bonds3

About 5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole

5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 63317448) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID63317448
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(Cc2nc(C3CCCN3)no2)cc1
InChIInChI=1S/C13H15N3O/c1-2-5-10(6-3-1)9-12-15-13(16-17-12)11-7-4-8-14-11/h1-3,5-6,11,14H,4,7-9H2
InChIKeyAOQNPTPZIGYGAM-UHFFFAOYSA-N
XLogP2.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 3474783
5-[5-(1-phenylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2(1H)-one
CID 136087892
5-[5-(4-methylbenzyl)-1,2,4-oxadiazol-3-yl]pyridin-2(1H)-one
CID 136087932
5-Benzyl-1,2,4-oxadiazol-3-amine
CID 20299725
(3-Methyl-1,2,4-oxadiazol-5-yl)(phenyl)methanamine hydrochloride
CID 22592441
4-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 53592425
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56706771
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxo-3-pyrrolidinecarboxamide
CID 70750335
N~3~-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-piperidinedicarboxamide
CID 70771730
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70775076
3-({[(5-Benzyl-1,2,4-oxadiazol-3-yl)methyl]amino}methyl)piperidin-3-ol
CID 70776784
2-[(5-Benzyl-1,2,4-oxadiazol-3-yl)methylamino]-2-cyclohexylpropan-1-ol
CID 72002669

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 63317448) is 5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole is c1ccc(Cc2nc(C3CCCN3)no2)cc1.
What is the InChIKey of 5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is AOQNPTPZIGYGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-5-10(6-3-1)9-12-15-13(16-17-12)11-7-4-8-14-11/h1-3,5-6,11,14H,4,7-9H2.
What are the key properties of 5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 229.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63317448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).