2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

C16H21N5O — CID 47704652

IUPAC2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESc1ccc(CN2CCN(Cc3nnc(C4CC4)o3)CC2)nc1
InChIInChI=1S/C16H21N5O/c1-2-6-17-14(3-1)11-20-7-9-21(10-8-20)12-15-18-19-16(22-15)13-4-5-13/h1-3,6,13H,4-5,7-12H2
InChIKeyOLBMSESPQPTNOL-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.66
Rot. Bonds5

About 2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 47704652) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID47704652
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESc1ccc(CN2CCN(Cc3nnc(C4CC4)o3)CC2)nc1
InChIInChI=1S/C16H21N5O/c1-2-6-17-14(3-1)11-20-7-9-21(10-8-20)12-15-18-19-16(22-15)13-4-5-13/h1-3,6,13H,4-5,7-12H2
InChIKeyOLBMSESPQPTNOL-UHFFFAOYSA-N
XLogP1.66
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520575
2-cyclopropyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 47520325
2-cyclopropyl-5-[[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 171999804
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 47520514
1-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 47520358
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615658
2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 75463945
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
2-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyridine
CID 16667834
1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70719989
[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47521649

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 47704652) is 2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is c1ccc(CN2CCN(Cc3nnc(C4CC4)o3)CC2)nc1.
What is the InChIKey of 2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is OLBMSESPQPTNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-6-17-14(3-1)11-20-7-9-21(10-8-20)12-15-18-19-16(22-15)13-4-5-13/h1-3,6,13H,4-5,7-12H2.
What are the key properties of 2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 299.38 g/mol, XLogP of 1.66, 5 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-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 47704652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).