1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one

C15H15N3O2 — CID 154450420

IUPAC1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one
SMILESO=C1C=CC=C/C=N\C=C/C=N\C=C/N=C\C=CCO1
InChIInChI=1S/C15H15N3O2/c19-15-7-2-1-3-8-16-10-6-11-18-13-12-17-9-4-5-14-20-15/h1-13H,14H2/b3-1?,5-4?,7-2?,10-6?,13-12?,16-8-,17-9-,18-11-
InChIKeyWUGXKWFVZRFGSJ-ZFRXJUMMSA-N
MW269.30 g/mol
LogP2.41
Rot. Bonds

About 1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one

1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one (PubChem CID 154450420) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one.

Molecular Properties

Compound Name1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one
PubChem CID154450420
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one
SMILESO=C1C=CC=C/C=N\C=C/C=N\C=C/N=C\C=CCO1
InChIInChI=1S/C15H15N3O2/c19-15-7-2-1-3-8-16-10-6-11-18-13-12-17-9-4-5-14-20-15/h1-13H,14H2/b3-1?,5-4?,7-2?,10-6?,13-12?,16-8-,17-9-,18-11-
InChIKeyWUGXKWFVZRFGSJ-ZFRXJUMMSA-N
XLogP2.41
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one?
The IUPAC name of 1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one (CID 154450420) is 1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one.
What is the SMILES notation for 1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one?
The canonical SMILES for 1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one is O=C1C=CC=C/C=N\C=C/C=N\C=C/N=C\C=CCO1.
What is the InChIKey of 1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one?
The InChIKey is WUGXKWFVZRFGSJ-ZFRXJUMMSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15-7-2-1-3-8-16-10-6-11-18-13-12-17-9-4-5-14-20-15/h1-13H,14H2/b3-1?,5-4?,7-2?,10-6?,13-12?,16-8-,17-9-,18-11-.
What are the key properties of 1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one?
1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one has a molecular weight of 269.30 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-6,9,13-triazacyclononadeca-3,5,7,9,11,13,15,17-octaen-19-one is sourced from PubChem (CID 154450420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).