2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene

C17H20N2O — CID 141182208

IUPAC2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene
SMILESc1cc2cc(c1)NCCOc1ccc(cc1)CCNC2
InChIInChI=1S/C17H20N2O/c1-2-15-12-16(3-1)19-10-11-20-17-6-4-14(5-7-17)8-9-18-13-15/h1-7,12,18-19H,8-11,13H2
InChIKeyZCNGYVHFKXJZGX-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.82
Rot. Bonds

About 2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene

2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene (PubChem CID 141182208) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene.

Molecular Properties

Compound Name2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene
PubChem CID141182208
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene
SMILESc1cc2cc(c1)NCCOc1ccc(cc1)CCNC2
InChIInChI=1S/C17H20N2O/c1-2-15-12-16(3-1)19-10-11-20-17-6-4-14(5-7-17)8-9-18-13-15/h1-7,12,18-19H,8-11,13H2
InChIKeyZCNGYVHFKXJZGX-UHFFFAOYSA-N
XLogP2.82
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene?
The IUPAC name of 2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene (CID 141182208) is 2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene.
What is the SMILES notation for 2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene?
The canonical SMILES for 2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene is c1cc2cc(c1)NCCOc1ccc(cc1)CCNC2.
What is the InChIKey of 2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene?
The InChIKey is ZCNGYVHFKXJZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-15-12-16(3-1)19-10-11-20-17-6-4-14(5-7-17)8-9-18-13-15/h1-7,12,18-19H,8-11,13H2.
What are the key properties of 2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene?
2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene has a molecular weight of 268.36 g/mol, XLogP of 2.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5,12-diazatricyclo[13.2.2.16,10]icosa-1(18),6,8,10(20),15(19),16-hexaene is sourced from PubChem (CID 141182208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).