(3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene

C19H17N3O — CID 145289016

IUPAC(3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene
SMILESC1=C\C=N\C=C/C=C\Oc2ccccc2/C=C\C=N/C=N\C=C/1
InChIInChI=1S/C19H17N3O/c1-4-12-20-13-6-7-16-23-19-11-3-2-9-18(19)10-8-15-22-17-21-14-5-1/h1-17H/b4-1-,10-8-,13-6-,14-5-,16-7-,20-12+,21-17+,22-15-
InChIKeyYRESCFILOVOZCJ-BEPOJPKPSA-N
MW303.37 g/mol
LogP4.36
Rot. Bonds

About (3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene

(3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene (PubChem CID 145289016) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene.

Molecular Properties

Compound Name(3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene
PubChem CID145289016
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene
SMILESC1=C\C=N\C=C/C=C\Oc2ccccc2/C=C\C=N/C=N\C=C/1
InChIInChI=1S/C19H17N3O/c1-4-12-20-13-6-7-16-23-19-11-3-2-9-18(19)10-8-15-22-17-21-14-5-1/h1-17H/b4-1-,10-8-,13-6-,14-5-,16-7-,20-12+,21-17+,22-15-
InChIKeyYRESCFILOVOZCJ-BEPOJPKPSA-N
XLogP4.36
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene with MolForge

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Related Compounds

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CID 87672269
(7Z)-azocine
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(3Z,5Z,7Z)-azocine;dihydrochloride
CID 139959973
(5Z,7Z,9Z,11Z,13Z,19Z,21Z,23Z)-2,3-dioxa-4,5,6,7-tetrazabicyclo[23.4.0]nonacosa-1(29),5,7,9,11,13,15,17,19,21,23,25,27-tridecaene
CID 173008582
(7Z)-1,3,5-triazocine
CID 135084024
1,2-benzoxazepine;but-2-enedioic acid
CID 70619135
(4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene
CID 173008593
1,4-benzoxazepin-4-ium
CID 173184889
1,4-benzodioxine
CID 158348476
2-oxa-3,4-diazabicyclo[14.4.0]icosa-1(20),4,6,8,10,14,16,18-octaen-12-one
CID 172720419
(3Z,5Z)-1-benzazocine;hydrochloride
CID 19012256

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene?
The IUPAC name of (3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene (CID 145289016) is (3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene.
What is the SMILES notation for (3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene?
The canonical SMILES for (3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene is C1=C\C=N\C=C/C=C\Oc2ccccc2/C=C\C=N/C=N\C=C/1.
What is the InChIKey of (3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene?
The InChIKey is YRESCFILOVOZCJ-BEPOJPKPSA-N. The full InChI is InChI=1S/C19H17N3O/c1-4-12-20-13-6-7-16-23-19-11-3-2-9-18(19)10-8-15-22-17-21-14-5-1/h1-17H/b4-1-,10-8-,13-6-,14-5-,16-7-,20-12+,21-17+,22-15-.
What are the key properties of (3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene?
(3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene has a molecular weight of 303.37 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene is sourced from PubChem (CID 145289016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).