2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole

C16H19N3O — CID 123939457

IUPAC2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole
SMILESCC1c2ccc(-c3nnco3)cc2C2CCNC1(C)C2
InChIInChI=1S/C16H19N3O/c1-10-13-4-3-11(15-19-18-9-20-15)7-14(13)12-5-6-17-16(10,2)8-12/h3-4,7,9-10,12,17H,5-6,8H2,1-2H3
InChIKeyZFODTASRNKEDGS-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.08
Rot. Bonds1

About 2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole

2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole (PubChem CID 123939457) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole
PubChem CID123939457
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole
SMILESCC1c2ccc(-c3nnco3)cc2C2CCNC1(C)C2
InChIInChI=1S/C16H19N3O/c1-10-13-4-3-11(15-19-18-9-20-15)7-14(13)12-5-6-17-16(10,2)8-12/h3-4,7,9-10,12,17H,5-6,8H2,1-2H3
InChIKeyZFODTASRNKEDGS-UHFFFAOYSA-N
XLogP3.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole (CID 123939457) is 2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole is CC1c2ccc(-c3nnco3)cc2C2CCNC1(C)C2.
What is the InChIKey of 2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole?
The InChIKey is ZFODTASRNKEDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-13-4-3-11(15-19-18-9-20-15)7-14(13)12-5-6-17-16(10,2)8-12/h3-4,7,9-10,12,17H,5-6,8H2,1-2H3.
What are the key properties of 2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole?
2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole has a molecular weight of 269.35 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 123939457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).