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

C15H16N2O — CID 13212015

IUPAC4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESc1ccc(CCN2CCOc3cccnc32)cc1
InChIInChI=1S/C15H16N2O/c1-2-5-13(6-3-1)8-10-17-11-12-18-14-7-4-9-16-15(14)17/h1-7,9H,8,10-12H2
InChIKeyVGXCHVTXDKXQEO-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.52
Rot. Bonds3

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

4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 13212015) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID13212015
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESc1ccc(CCN2CCOc3cccnc32)cc1
InChIInChI=1S/C15H16N2O/c1-2-5-13(6-3-1)8-10-17-11-12-18-14-7-4-9-16-15(14)17/h1-7,9H,8,10-12H2
InChIKeyVGXCHVTXDKXQEO-UHFFFAOYSA-N
XLogP2.52
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 13212015) is 4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is c1ccc(CCN2CCOc3cccnc32)cc1.
What is the InChIKey of 4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is VGXCHVTXDKXQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-5-13(6-3-1)8-10-17-11-12-18-14-7-4-9-16-15(14)17/h1-7,9H,8,10-12H2.
What are the key properties of 4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 240.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 13212015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).