2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole

C11H15N3O — CID 91566589

IUPAC2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESC=CC(=CC)c1nnc(C2CCCN2)o1
InChIInChI=1S/C11H15N3O/c1-3-8(4-2)10-13-14-11(15-10)9-6-5-7-12-9/h3-4,9,12H,1,5-7H2,2H3
InChIKeyHVFURKCHVVSXSV-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.08
Rot. Bonds3

About 2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole

2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole (PubChem CID 91566589) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
PubChem CID91566589
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESC=CC(=CC)c1nnc(C2CCCN2)o1
InChIInChI=1S/C11H15N3O/c1-3-8(4-2)10-13-14-11(15-10)9-6-5-7-12-9/h3-4,9,12H,1,5-7H2,2H3
InChIKeyHVFURKCHVVSXSV-UHFFFAOYSA-N
XLogP2.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-penta-1,3-dien-3-yl-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-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 66509664
2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 123914649
2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 4888633
2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole
CID 96864783
2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride
CID 119031517
1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 102703621
methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate
CID 102703727
2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 22308656
1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 102703600
2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 102703433
2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole
CID 115032776
N,N-dimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 6356344

Frequently Asked Questions

What is the IUPAC name of 2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole (CID 91566589) is 2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole is C=CC(=CC)c1nnc(C2CCCN2)o1.
What is the InChIKey of 2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The InChIKey is HVFURKCHVVSXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-8(4-2)10-13-14-11(15-10)9-6-5-7-12-9/h3-4,9,12H,1,5-7H2,2H3.
What are the key properties of 2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole has a molecular weight of 205.26 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 2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 91566589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).