4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine

C15H16N2O — CID 13212016

IUPAC4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCC(c1ccccc1)N1CCOc2cccnc21
InChIInChI=1S/C15H16N2O/c1-12(13-6-3-2-4-7-13)17-10-11-18-14-8-5-9-16-15(14)17/h2-9,12H,10-11H2,1H3
InChIKeyFPDCYBCETUROMC-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.04
Rot. Bonds2

About 4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine

4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 13212016) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID13212016
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCC(c1ccccc1)N1CCOc2cccnc21
InChIInChI=1S/C15H16N2O/c1-12(13-6-3-2-4-7-13)17-10-11-18-14-8-5-9-16-15(14)17/h2-9,12H,10-11H2,1H3
InChIKeyFPDCYBCETUROMC-UHFFFAOYSA-N
XLogP3.04
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 13212016) is 4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is CC(c1ccccc1)N1CCOc2cccnc21.
What is the InChIKey of 4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is FPDCYBCETUROMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-12(13-6-3-2-4-7-13)17-10-11-18-14-8-5-9-16-15(14)17/h2-9,12H,10-11H2,1H3.
What are the key properties of 4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 240.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 13212016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).