6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

C15H12N2O — CID 53317111

IUPAC6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESC(#Cc1ccc2c(n1)OCCN2)c1ccccc1
InChIInChI=1S/C15H12N2O/c1-2-4-12(5-3-1)6-7-13-8-9-14-15(17-13)18-11-10-16-14/h1-5,8-9,16H,10-11H2
InChIKeyYNDZEMICBJAWPH-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.29
Rot. Bonds

About 6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (PubChem CID 53317111) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
PubChem CID53317111
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESC(#Cc1ccc2c(n1)OCCN2)c1ccccc1
InChIInChI=1S/C15H12N2O/c1-2-4-12(5-3-1)6-7-13-8-9-14-15(17-13)18-11-10-16-14/h1-5,8-9,16H,10-11H2
InChIKeyYNDZEMICBJAWPH-UHFFFAOYSA-N
XLogP2.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The IUPAC name of 6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (CID 53317111) is 6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is C(#Cc1ccc2c(n1)OCCN2)c1ccccc1.
What is the InChIKey of 6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The InChIKey is YNDZEMICBJAWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-2-4-12(5-3-1)6-7-13-8-9-14-15(17-13)18-11-10-16-14/h1-5,8-9,16H,10-11H2.
What are the key properties of 6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine has a molecular weight of 236.27 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 53317111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).