2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene

C16H15N3O — CID 68842660

IUPAC2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene
SMILESc1cccccc2ccccc2o[nH]nncccc1
InChIInChI=1S/C16H15N3O/c1-2-4-6-10-14-17-18-19-20-16-13-9-8-12-15(16)11-7-5-3-1/h1-14H,(H,17,19)/b2-1+,5-3+,6-4-,11-7-,14-10+
InChIKeyKWNSEFHKEKKGIC-GZCSJXAESA-N
MW265.32 g/mol
LogP3.92
Rot. Bonds

About 2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene

2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene (PubChem CID 68842660) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene.

Molecular Properties

Compound Name2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene
PubChem CID68842660
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene
SMILESc1cccccc2ccccc2o[nH]nncccc1
InChIInChI=1S/C16H15N3O/c1-2-4-6-10-14-17-18-19-20-16-13-9-8-12-15(16)11-7-5-3-1/h1-14H,(H,17,19)/b2-1+,5-3+,6-4-,11-7-,14-10+
InChIKeyKWNSEFHKEKKGIC-GZCSJXAESA-N
XLogP3.92
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene?
The IUPAC name of 2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene (CID 68842660) is 2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene.
What is the SMILES notation for 2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene?
The canonical SMILES for 2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene is c1cccccc2ccccc2o[nH]nncccc1.
What is the InChIKey of 2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene?
The InChIKey is KWNSEFHKEKKGIC-GZCSJXAESA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-4-6-10-14-17-18-19-20-16-13-9-8-12-15(16)11-7-5-3-1/h1-14H,(H,17,19)/b2-1+,5-3+,6-4-,11-7-,14-10+.
What are the key properties of 2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene?
2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene has a molecular weight of 265.32 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-3,4,5-triazabicyclo[14.4.0]icosa-1(20),4,6,8,10,12,14,16,18-nonaene is sourced from PubChem (CID 68842660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).