2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole

C15H18N2O — CID 134485087

IUPAC2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole
SMILESC=C/C=C\C=C(/C)c1nnc(C/C=C\C=C/C)o1
InChIInChI=1S/C15H18N2O/c1-4-6-8-10-12-14-16-17-15(18-14)13(3)11-9-7-5-2/h4-11H,2,12H2,1,3H3/b6-4-,9-7-,10-8-,13-11+
InChIKeyURFVOIRLBFSFRI-JKQRBOGDSA-N
MW242.32 g/mol
LogP3.89
Rot. Bonds6

About 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole

2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole (PubChem CID 134485087) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole
PubChem CID134485087
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole
SMILESC=C/C=C\C=C(/C)c1nnc(C/C=C\C=C/C)o1
InChIInChI=1S/C15H18N2O/c1-4-6-8-10-12-14-16-17-15(18-14)13(3)11-9-7-5-2/h4-11H,2,12H2,1,3H3/b6-4-,9-7-,10-8-,13-11+
InChIKeyURFVOIRLBFSFRI-JKQRBOGDSA-N
XLogP3.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole (CID 134485087) is 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole is C=C/C=C\C=C(/C)c1nnc(C/C=C\C=C/C)o1.
What is the InChIKey of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole?
The InChIKey is URFVOIRLBFSFRI-JKQRBOGDSA-N. The full InChI is InChI=1S/C15H18N2O/c1-4-6-8-10-12-14-16-17-15(18-14)13(3)11-9-7-5-2/h4-11H,2,12H2,1,3H3/b6-4-,9-7-,10-8-,13-11+.
What are the key properties of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole?
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole has a molecular weight of 242.32 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-[(2Z,4Z)-hexa-2,4-dienyl]-1,3,4-oxadiazole is sourced from PubChem (CID 134485087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).