14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene

C16H16N2O — CID 21258045

IUPAC14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
SMILESc1ccc2c(c1)Oc1ccccc1N1CCNCC21
InChIInChI=1S/C16H16N2O/c1-3-7-15-12(5-1)14-11-17-9-10-18(14)13-6-2-4-8-16(13)19-15/h1-8,14,17H,9-11H2
InChIKeyUVNHOSOCARUDRJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.94
Rot. Bonds

About 14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene

14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene (PubChem CID 21258045) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene.

Molecular Properties

Compound Name14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
PubChem CID21258045
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
SMILESc1ccc2c(c1)Oc1ccccc1N1CCNCC21
InChIInChI=1S/C16H16N2O/c1-3-7-15-12(5-1)14-11-17-9-10-18(14)13-6-2-4-8-16(13)19-15/h1-8,14,17H,9-11H2
InChIKeyUVNHOSOCARUDRJ-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine
CID 18520561
14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine
CID 70636665
1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride
CID 18520560
1-(3,4-dihydro-2H-chromen-4-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63100742
8-oxa-1,17-diazapentacyclo[13.5.0.02,7.09,14.016,18]icosa-2,4,6,9,11,13-hexaene
CID 10515759
13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride
CID 21153930
(10bR)-7-chloro-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 11207650
1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine
CID 64932917
1-(4-chlorophenyl)-2-(2-methylphenyl)piperazine
CID 66735743
2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 10467350
4-(1,2,3,4-tetrahydroquinolin-4-yl)-2,3-dihydro-1,4-benzoxazine
CID 163858317
(10bR)-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 11221167

Frequently Asked Questions

What is the IUPAC name of 14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene?
The IUPAC name of 14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene (CID 21258045) is 14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene.
What is the SMILES notation for 14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene?
The canonical SMILES for 14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene is c1ccc2c(c1)Oc1ccccc1N1CCNCC21.
What is the InChIKey of 14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene?
The InChIKey is UVNHOSOCARUDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-3-7-15-12(5-1)14-11-17-9-10-18(14)13-6-2-4-8-16(13)19-15/h1-8,14,17H,9-11H2.
What are the key properties of 14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene?
14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene has a molecular weight of 252.32 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene is sourced from PubChem (CID 21258045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).