2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole

C14H17N5O — CID 72898587

IUPAC2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESc1cncc(N2CCN(c3nnc(C4CC4)o3)CC2)c1
InChIInChI=1S/C14H17N5O/c1-2-12(10-15-5-1)18-6-8-19(9-7-18)14-17-16-13(20-14)11-3-4-11/h1-2,5,10-11H,3-4,6-9H2
InChIKeyHOLHEZWLPUEQMY-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.67
Rot. Bonds3

About 2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole

2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole (PubChem CID 72898587) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole
PubChem CID72898587
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESc1cncc(N2CCN(c3nnc(C4CC4)o3)CC2)c1
InChIInChI=1S/C14H17N5O/c1-2-12(10-15-5-1)18-6-8-19(9-7-18)14-17-16-13(20-14)11-3-4-11/h1-2,5,10-11H,3-4,6-9H2
InChIKeyHOLHEZWLPUEQMY-UHFFFAOYSA-N
XLogP1.67
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;1-methyl-4-pyridin-3-ylpiperazine
CID 144911309
(4-pyridin-3-ylpiperazin-1-yl)phosphane
CID 21025744
2-cyclobutyl-5-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1,3,4-oxadiazole
CID 72917252
1-pyridin-3-ylpiperidine-4-carbonitrile
CID 71721220
(1-pyridin-3-ylpiperidin-4-yl) hypochlorite
CID 174467060
2-cyclopropyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520325
2-(4-phenylpiperazin-1-yl)-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 95931465
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 175830226
[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]azanium;hydroxide;hydrate
CID 159789123
N-methyl-1-pyridin-3-ylazepan-3-amine
CID 10219904
(1-pyridin-3-ylpiperidin-3-yl)methanamine
CID 83818099

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole (CID 72898587) is 2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole is c1cncc(N2CCN(c3nnc(C4CC4)o3)CC2)c1.
What is the InChIKey of 2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The InChIKey is HOLHEZWLPUEQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-12(10-15-5-1)18-6-8-19(9-7-18)14-17-16-13(20-14)11-3-4-11/h1-2,5,10-11H,3-4,6-9H2.
What are the key properties of 2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole?
2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole has a molecular weight of 271.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(4-pyridin-3-ylpiperazin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 72898587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).