2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole

C15H16N2O — CID 142093028

IUPAC2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole
SMILESCC1=CCC(c2nnc(C3=CCCC=C3)o2)C=C1
InChIInChI=1S/C15H16N2O/c1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12/h3,5-9,13H,2,4,10H2,1H3
InChIKeyPSQBITHHQLGFQC-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.79
Rot. Bonds2

About 2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole

2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole (PubChem CID 142093028) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole
PubChem CID142093028
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole
SMILESCC1=CCC(c2nnc(C3=CCCC=C3)o2)C=C1
InChIInChI=1S/C15H16N2O/c1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12/h3,5-9,13H,2,4,10H2,1H3
InChIKeyPSQBITHHQLGFQC-UHFFFAOYSA-N
XLogP3.79
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole (CID 142093028) is 2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole is CC1=CCC(c2nnc(C3=CCCC=C3)o2)C=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole?
The InChIKey is PSQBITHHQLGFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12/h3,5-9,13H,2,4,10H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole?
2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole has a molecular weight of 240.31 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-5-(4-methylcyclohexa-2,4-dien-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 142093028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).