2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole

C17H16N2O — CID 143031996

IUPAC2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCC1=CC=C(c2nnc(-c3ccc(C)cc3)o2)C2CC12
InChIInChI=1S/C17H16N2O/c1-10-3-6-12(7-4-10)16-18-19-17(20-16)13-8-5-11(2)14-9-15(13)14/h3-8,14-15H,9H2,1-2H3
InChIKeyKGVLIFMCAWEQJU-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.02
Rot. Bonds2

About 2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole

2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 143031996) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID143031996
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCC1=CC=C(c2nnc(-c3ccc(C)cc3)o2)C2CC12
InChIInChI=1S/C17H16N2O/c1-10-3-6-12(7-4-10)16-18-19-17(20-16)13-8-5-11(2)14-9-15(13)14/h3-8,14-15H,9H2,1-2H3
InChIKeyKGVLIFMCAWEQJU-UHFFFAOYSA-N
XLogP4.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
CID 20603457
4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol
CID 135985215
2-(2-cyclopropylpyrimidin-5-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 99962691
cis-(1S,3R)-3-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675801
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc
CID 158215980
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
5-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine
CID 79992774
4-methyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole
CID 89448846
2-(4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 785031
2,6-ditert-butyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694940
2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole
CID 102384865

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 143031996) is 2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole is CC1=CC=C(c2nnc(-c3ccc(C)cc3)o2)C2CC12.
What is the InChIKey of 2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is KGVLIFMCAWEQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-10-3-6-12(7-4-10)16-18-19-17(20-16)13-8-5-11(2)14-9-15(13)14/h3-8,14-15H,9H2,1-2H3.
What are the key properties of 2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 264.33 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 143031996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).