2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-1,3,4-oxadiazole

C16H19N3O — CID 58123940

IUPAC2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-1,3,4-oxadiazole
SMILESC[C@@H]1[C@H]2Cc3ccc(-c4nnco4)cc3[C@]1(C)CCN2
InChIInChI=1S/C16H19N3O/c1-10-14-8-11-3-4-12(15-19-18-9-20-15)7-13(11)16(10,2)5-6-17-14/h3-4,7,9-10,14,17H,5-6,8H2,1-2H3/t10-,14-,16-/m1/s1
InChIKeyVLXWEESRTOGUEB-QSGSBWRWSA-N
MW269.35 g/mol
LogP2.55
Rot. Bonds1

About 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-1,3,4-oxadiazole

2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-1,3,4-oxadiazole (PubChem CID 58123940) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-1,3,4-oxadiazole
PubChem CID58123940
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-1,3,4-oxadiazole
SMILESC[C@@H]1[C@H]2Cc3ccc(-c4nnco4)cc3[C@]1(C)CCN2
InChIInChI=1S/C16H19N3O/c1-10-14-8-11-3-4-12(15-19-18-9-20-15)7-13(11)16(10,2)5-6-17-14/h3-4,7,9-10,14,17H,5-6,8H2,1-2H3/t10-,14-,16-/m1/s1
InChIKeyVLXWEESRTOGUEB-QSGSBWRWSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

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[(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-piperidin-1-ylmethanone
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CID 58123664

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,9R,13S)-1,13-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-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-1,3,4-oxadiazole (CID 58123940) is 2-[(1R,9R,13S)-1,13-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-[(1R,9R,13S)-1,13-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-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-1,3,4-oxadiazole is C[C@@H]1[C@H]2Cc3ccc(-c4nnco4)cc3[C@]1(C)CCN2.
What is the InChIKey of 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-1,3,4-oxadiazole?
The InChIKey is VLXWEESRTOGUEB-QSGSBWRWSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-14-8-11-3-4-12(15-19-18-9-20-15)7-13(11)16(10,2)5-6-17-14/h3-4,7,9-10,14,17H,5-6,8H2,1-2H3/t10-,14-,16-/m1/s1.
What are the key properties of 2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-1,3,4-oxadiazole?
2-[(1R,9R,13S)-1,13-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 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,9R,13S)-1,13-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 58123940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).