4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine

C16H18N2O2 — CID 53321036

IUPAC4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCCN1CCOc2cc(COc3ccccc3)cnc21
InChIInChI=1S/C16H18N2O2/c1-2-18-8-9-19-15-10-13(11-17-16(15)18)12-20-14-6-4-3-5-7-14/h3-7,10-11H,2,8-9,12H2,1H3
InChIKeyBNPYZSLINHTRBZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.88
Rot. Bonds4

About 4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine

4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 53321036) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID53321036
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCCN1CCOc2cc(COc3ccccc3)cnc21
InChIInChI=1S/C16H18N2O2/c1-2-18-8-9-19-15-10-13(11-17-16(15)18)12-20-14-6-4-3-5-7-14/h3-7,10-11H,2,8-9,12H2,1H3
InChIKeyBNPYZSLINHTRBZ-UHFFFAOYSA-N
XLogP2.88
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 53321036) is 4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is CCN1CCOc2cc(COc3ccccc3)cnc21.
What is the InChIKey of 4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is BNPYZSLINHTRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-18-8-9-19-15-10-13(11-17-16(15)18)12-20-14-6-4-3-5-7-14/h3-7,10-11H,2,8-9,12H2,1H3.
What are the key properties of 4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 270.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 53321036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).