(2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one

C16H15N3O2 — CID 145475763

IUPAC(2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one
SMILESO=C1/C=C\C=C/C=C\C=C/C=C\C=C/C=C\C=N\N=N\O1
InChIInChI=1S/C16H15N3O2/c20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-18-19-21-16/h1-15H/b2-1-,5-3-,6-4-,9-7-,10-8-,13-11-,14-12-,17-15+,19-18+
InChIKeyUZYJDLBMMGZXHT-LBMDEADFSA-N
MW281.32 g/mol
LogP3.79
Rot. Bonds

About (2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one

(2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one (PubChem CID 145475763) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is (2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one.

Molecular Properties

Compound Name(2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one
PubChem CID145475763
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name(2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one
SMILESO=C1/C=C\C=C/C=C\C=C/C=C\C=C/C=C\C=N\N=N\O1
InChIInChI=1S/C16H15N3O2/c20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-18-19-21-16/h1-15H/b2-1-,5-3-,6-4-,9-7-,10-8-,13-11-,14-12-,17-15+,19-18+
InChIKeyUZYJDLBMMGZXHT-LBMDEADFSA-N
XLogP3.79
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one?
The IUPAC name of (2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one (CID 145475763) is (2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one.
What is the SMILES notation for (2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one?
The canonical SMILES for (2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one is O=C1/C=C\C=C/C=C\C=C/C=C\C=C/C=C\C=N\N=N\O1.
What is the InChIKey of (2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one?
The InChIKey is UZYJDLBMMGZXHT-LBMDEADFSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-18-19-21-16/h1-15H/b2-1-,5-3-,6-4-,9-7-,10-8-,13-11-,14-12-,17-15+,19-18+.
What are the key properties of (2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one?
(2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one has a molecular weight of 281.32 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one is sourced from PubChem (CID 145475763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).