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

C16H16N2O4 — CID 53323740

IUPACmethyl 7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
SMILESCOC(=O)N1CCOc2cc(COc3ccccc3)cnc21
InChIInChI=1S/C16H16N2O4/c1-20-16(19)18-7-8-21-14-9-12(10-17-15(14)18)11-22-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3
InChIKeyCVFJZQMCHKSCEI-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.63
Rot. Bonds3

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

methyl 7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate (PubChem CID 53323740) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl 7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
PubChem CID53323740
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namemethyl 7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate
SMILESCOC(=O)N1CCOc2cc(COc3ccccc3)cnc21
InChIInChI=1S/C16H16N2O4/c1-20-16(19)18-7-8-21-14-9-12(10-17-15(14)18)11-22-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3
InChIKeyCVFJZQMCHKSCEI-UHFFFAOYSA-N
XLogP2.63
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
The IUPAC name of methyl 7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate (CID 53323740) is methyl 7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate.
What is the SMILES notation for methyl 7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
The canonical SMILES for methyl 7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate is COC(=O)N1CCOc2cc(COc3ccccc3)cnc21.
What is the InChIKey of methyl 7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
The InChIKey is CVFJZQMCHKSCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-20-16(19)18-7-8-21-14-9-12(10-17-15(14)18)11-22-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of methyl 7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate?
methyl 7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(phenoxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxylate is sourced from PubChem (CID 53323740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).