2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile

C22H16N2O2 — CID 70149612

IUPAC2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile
SMILESN#CCOc1ccc(-c2ccccc2)c2c1c1cccc3c1n2CCO3
InChIInChI=1S/C22H16N2O2/c23-11-13-25-18-10-9-16(15-5-2-1-3-6-15)22-20(18)17-7-4-8-19-21(17)24(22)12-14-26-19/h1-10H,12-14H2
InChIKeyOUGOSNDHMUAGJV-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.76
Rot. Bonds3

About 2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile

2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile (PubChem CID 70149612) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile.

Molecular Properties

Compound Name2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile
PubChem CID70149612
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile
SMILESN#CCOc1ccc(-c2ccccc2)c2c1c1cccc3c1n2CCO3
InChIInChI=1S/C22H16N2O2/c23-11-13-25-18-10-9-16(15-5-2-1-3-6-15)22-20(18)17-7-4-8-19-21(17)24(22)12-14-26-19/h1-10H,12-14H2
InChIKeyOUGOSNDHMUAGJV-UHFFFAOYSA-N
XLogP4.76
TPSA47.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile with MolForge

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Related Compounds

benzene;ethane;2-(4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaen-11-yloxy)ethanamine
CID 142820682
2-naphthalen-1-yloxyacetonitrile
CID 4123375
2-(3-phenylpropyl)-3-(trifluoromethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
CID 71715042
1-(2-methyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)ethanone
CID 59972687
4,5-diphenyl-2,3-dihydro-1-benzofuran
CID 154231459
2-[2-(3-fluorophenyl)phenoxy]acetonitrile
CID 91290216
3,6,14,17-tetraphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene-4,16-dicarbonitrile
CID 164528974
2-(4-methylquinolin-8-yl)oxyacetonitrile
CID 71319986
2-(5-iodoquinolin-8-yl)oxyacetonitrile
CID 71320001
2-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenoxy]acetonitrile
CID 43203323
4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-10-thione
CID 139979831
2-[2-(cyanomethoxy)phenyl]acetonitrile
CID 55267337

Frequently Asked Questions

What is the IUPAC name of 2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile?
The IUPAC name of 2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile (CID 70149612) is 2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile.
What is the SMILES notation for 2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile?
The canonical SMILES for 2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile is N#CCOc1ccc(-c2ccccc2)c2c1c1cccc3c1n2CCO3.
What is the InChIKey of 2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile?
The InChIKey is OUGOSNDHMUAGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c23-11-13-25-18-10-9-16(15-5-2-1-3-6-15)22-20(18)17-7-4-8-19-21(17)24(22)12-14-26-19/h1-10H,12-14H2.
What are the key properties of 2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile?
2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile has a molecular weight of 340.38 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(14-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)oxy]acetonitrile is sourced from PubChem (CID 70149612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).