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

C15H25N3O — CID 123914649

IUPAC2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESC1CCCCC(c2nnc(C3CCCN3)o2)CCC1
InChIInChI=1S/C15H25N3O/c1-2-4-6-9-12(8-5-3-1)14-17-18-15(19-14)13-10-7-11-16-13/h12-13,16H,1-11H2
InChIKeyQXYFJHFXCBCAQJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.71
Rot. Bonds2

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

2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole (PubChem CID 123914649) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
PubChem CID123914649
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESC1CCCCC(c2nnc(C3CCCN3)o2)CCC1
InChIInChI=1S/C15H25N3O/c1-2-4-6-9-12(8-5-3-1)14-17-18-15(19-14)13-10-7-11-16-13/h12-13,16H,1-11H2
InChIKeyQXYFJHFXCBCAQJ-UHFFFAOYSA-N
XLogP3.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride
CID 119031517
2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole
CID 124980247
2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole
CID 96864783
5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 123446995
2-chloro-5-cyclohexyl-1,3,4-oxadiazole
CID 82281079
2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 4888633
N-cyclopropyl-5-piperidin-2-yl-1,3,4-oxadiazol-2-amine
CID 110456032
2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 66509664
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole
CID 115032776
2-(4-chlorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 22308659
2-bromo-5-cyclooctyl-1,3,4-oxadiazole
CID 114771199

Frequently Asked Questions

What is the IUPAC name of 2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole (CID 123914649) is 2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole is C1CCCCC(c2nnc(C3CCCN3)o2)CCC1.
What is the InChIKey of 2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The InChIKey is QXYFJHFXCBCAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-4-6-9-12(8-5-3-1)14-17-18-15(19-14)13-10-7-11-16-13/h12-13,16H,1-11H2.
What are the key properties of 2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole has a molecular weight of 263.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 123914649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).