8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide

C16H12N2O2 — CID 172994189

IUPAC8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide
SMILESNC(=O)c1cccc2cccnoc3ccccc3c12
InChIInChI=1S/C16H12N2O2/c17-16(19)13-8-3-5-11-6-4-10-18-20-14-9-2-1-7-12(14)15(11)13/h1-10H,(H2,17,19)/b6-4-,18-10-
InChIKeyVCLXCIKMLRGIEW-FMAFWKIXSA-N
MW264.28 g/mol
LogP3.20
Rot. Bonds1

About 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide

8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide (PubChem CID 172994189) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide.

Molecular Properties

Compound Name8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide
PubChem CID172994189
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide
SMILESNC(=O)c1cccc2cccnoc3ccccc3c12
InChIInChI=1S/C16H12N2O2/c17-16(19)13-8-3-5-11-6-4-10-18-20-14-9-2-1-7-12(14)15(11)13/h1-10H,(H2,17,19)/b6-4-,18-10-
InChIKeyVCLXCIKMLRGIEW-FMAFWKIXSA-N
XLogP3.20
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoxazonine
CID 70629016
Dibenzodioxazocin
CID 129779113
Dibenzoxazocine
CID 172994149
1,2-Benzoxazole-5-carboxamide
CID 57512671
8-Oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 70511631
8,9-Dioxa-10-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,11,13,15,17-octaene
CID 88474215
2,3-Dioxa-4-azabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene
CID 142774826
5-(1,2-Oxazol-5-yl)-1,2-benzoxazole
CID 146416267
2-Oxa-3,4,5-triazabicyclo[11.4.0]heptadeca-1(13),3,5,7,9,11,14,16-octaene-15-carboxamide
CID 150575374
3-(1,2-Benzisoxazol-6-yl)-4-methylbenzamide
CID 170994365

Frequently Asked Questions

What is the IUPAC name of 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide?
The IUPAC name of 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide (CID 172994189) is 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide.
What is the SMILES notation for 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide?
The canonical SMILES for 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide is NC(=O)c1cccc2cccnoc3ccccc3c12.
What is the InChIKey of 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide?
The InChIKey is VCLXCIKMLRGIEW-FMAFWKIXSA-N. The full InChI is InChI=1S/C16H12N2O2/c17-16(19)13-8-3-5-11-6-4-10-18-20-14-9-2-1-7-12(14)15(11)13/h1-10H,(H2,17,19)/b6-4-,18-10-.
What are the key properties of 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide?
8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-9-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,9,11,14,16-octaene-17-carboxamide is sourced from PubChem (CID 172994189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).