3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole

C16H19N3O — CID 107070934

IUPAC3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCCNC1c1nc(C2Cc3ccccc32)no1
InChIInChI=1S/C16H19N3O/c1-10-5-4-8-17-14(10)16-18-15(19-20-16)13-9-11-6-2-3-7-12(11)13/h2-3,6-7,10,13-14,17H,4-5,8-9H2,1H3
InChIKeyRMYPYXMCECNASP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.82
Rot. Bonds2

About 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole

3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 107070934) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID107070934
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCCNC1c1nc(C2Cc3ccccc32)no1
InChIInChI=1S/C16H19N3O/c1-10-5-4-8-17-14(10)16-18-15(19-20-16)13-9-11-6-2-3-7-12(11)13/h2-3,6-7,10,13-14,17H,4-5,8-9H2,1H3
InChIKeyRMYPYXMCECNASP-UHFFFAOYSA-N
XLogP2.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 64985486
2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 64982138
3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070948
5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
CID 63247056
3-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424921
3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107071027
3-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474123
5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 107070924
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597587
5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
CID 107070929
5-(3-methylpiperidin-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 107071090
3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070855

Frequently Asked Questions

What is the IUPAC name of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 107070934) is 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole is CC1CCCNC1c1nc(C2Cc3ccccc32)no1.
What is the InChIKey of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is RMYPYXMCECNASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-5-4-8-17-14(10)16-18-15(19-20-16)13-9-11-6-2-3-7-12(11)13/h2-3,6-7,10,13-14,17H,4-5,8-9H2,1H3.
What are the key properties of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 269.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 107070934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).