4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene

C19H21NO — CID 3064614

IUPAC4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene
SMILESc1ccc(C2CNC3CCCc4ccccc4C3O2)cc1
InChIInChI=1S/C19H21NO/c1-2-8-15(9-3-1)18-13-20-17-12-6-10-14-7-4-5-11-16(14)19(17)21-18/h1-5,7-9,11,17-20H,6,10,12-13H2
InChIKeyQOADKGLIELJCRC-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.79
Rot. Bonds1

About 4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene

4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene (PubChem CID 3064614) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene.

Molecular Properties

Compound Name4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene
PubChem CID3064614
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene
SMILESc1ccc(C2CNC3CCCc4ccccc4C3O2)cc1
InChIInChI=1S/C19H21NO/c1-2-8-15(9-3-1)18-13-20-17-12-6-10-14-7-4-5-11-16(14)19(17)21-18/h1-5,7-9,11,17-20H,6,10,12-13H2
InChIKeyQOADKGLIELJCRC-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene?
The IUPAC name of 4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene (CID 3064614) is 4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene.
What is the SMILES notation for 4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene?
The canonical SMILES for 4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene is c1ccc(C2CNC3CCCc4ccccc4C3O2)cc1.
What is the InChIKey of 4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene?
The InChIKey is QOADKGLIELJCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-8-15(9-3-1)18-13-20-17-12-6-10-14-7-4-5-11-16(14)19(17)21-18/h1-5,7-9,11,17-20H,6,10,12-13H2.
What are the key properties of 4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene?
4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene has a molecular weight of 279.38 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene is sourced from PubChem (CID 3064614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).