2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole

C10H12N2O — CID 143236149

IUPAC2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2=CCCCC=C2)o1
InChIInChI=1S/C10H12N2O/c1-8-11-12-10(13-8)9-6-4-2-3-5-7-9/h4,6-7H,2-3,5H2,1H3
InChIKeyUMUKJQJJGPGLBK-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.50
Rot. Bonds1

About 2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole

2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole (PubChem CID 143236149) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole
PubChem CID143236149
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2=CCCCC=C2)o1
InChIInChI=1S/C10H12N2O/c1-8-11-12-10(13-8)9-6-4-2-3-5-7-9/h4,6-7H,2-3,5H2,1H3
InChIKeyUMUKJQJJGPGLBK-UHFFFAOYSA-N
XLogP2.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole (CID 143236149) is 2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole is Cc1nnc(C2=CCCCC=C2)o1.
What is the InChIKey of 2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole?
The InChIKey is UMUKJQJJGPGLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8-11-12-10(13-8)9-6-4-2-3-5-7-9/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole?
2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole has a molecular weight of 176.22 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,6-dien-1-yl-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 143236149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).