3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole

C12H19N3O — CID 61371735

IUPAC3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
SMILESC1CNC(Cc2nc(C3CCCC3)no2)C1
InChIInChI=1S/C12H19N3O/c1-2-5-9(4-1)12-14-11(16-15-12)8-10-6-3-7-13-10/h9-10,13H,1-8H2
InChIKeyLMVWQLFREOOFFH-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.02
Rot. Bonds3

About 3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole

3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 61371735) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID61371735
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
SMILESC1CNC(Cc2nc(C3CCCC3)no2)C1
InChIInChI=1S/C12H19N3O/c1-2-5-9(4-1)12-14-11(16-15-12)8-10-6-3-7-13-10/h9-10,13H,1-8H2
InChIKeyLMVWQLFREOOFFH-UHFFFAOYSA-N
XLogP2.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65389898
3-(4-tert-butylcyclohexyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65401812
3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 62216208
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96839705
5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82007711
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732
3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 65389710
2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115078262
N-ethyl-N-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 116808442
4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807598
3-(ethylsulfanylmethyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65130998
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole (CID 61371735) is 3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole is C1CNC(Cc2nc(C3CCCC3)no2)C1.
What is the InChIKey of 3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is LMVWQLFREOOFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-5-9(4-1)12-14-11(16-15-12)8-10-6-3-7-13-10/h9-10,13H,1-8H2.
What are the key properties of 3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole?
3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 61371735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).