1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone

C16H16N2O3 — CID 53323741

IUPAC1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone
SMILESCC(=O)N1CCOc2cc(COc3ccccc3)cnc21
InChIInChI=1S/C16H16N2O3/c1-12(19)18-7-8-20-15-9-13(10-17-16(15)18)11-21-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11H2,1H3
InChIKeyGYGTYEDMBXHWDC-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.41
Rot. Bonds3

About 1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone

1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone (PubChem CID 53323741) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone.

Molecular Properties

Compound Name1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone
PubChem CID53323741
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone
SMILESCC(=O)N1CCOc2cc(COc3ccccc3)cnc21
InChIInChI=1S/C16H16N2O3/c1-12(19)18-7-8-20-15-9-13(10-17-16(15)18)11-21-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11H2,1H3
InChIKeyGYGTYEDMBXHWDC-UHFFFAOYSA-N
XLogP2.41
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone?
The IUPAC name of 1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone (CID 53323741) is 1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone.
What is the SMILES notation for 1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone?
The canonical SMILES for 1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone is CC(=O)N1CCOc2cc(COc3ccccc3)cnc21.
What is the InChIKey of 1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone?
The InChIKey is GYGTYEDMBXHWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12(19)18-7-8-20-15-9-13(10-17-16(15)18)11-21-14-5-3-2-4-6-14/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone?
1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone has a molecular weight of 284.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone is sourced from PubChem (CID 53323741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).