ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate

C15H19NO4 — CID 129201855

IUPACethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate
SMILESCCOC(=O)C1=NOC(COCc2ccccc2)CC1
InChIInChI=1S/C15H19NO4/c1-2-19-15(17)14-9-8-13(20-16-14)11-18-10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyHYSOUONPDUEZAD-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.30
Rot. Bonds6

About ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate

ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate (PubChem CID 129201855) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate
PubChem CID129201855
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate
SMILESCCOC(=O)C1=NOC(COCc2ccccc2)CC1
InChIInChI=1S/C15H19NO4/c1-2-19-15(17)14-9-8-13(20-16-14)11-18-10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyHYSOUONPDUEZAD-UHFFFAOYSA-N
XLogP2.30
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate?
The IUPAC name of ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate (CID 129201855) is ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate.
What is the SMILES notation for ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate?
The canonical SMILES for ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate is CCOC(=O)C1=NOC(COCc2ccccc2)CC1.
What is the InChIKey of ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate?
The InChIKey is HYSOUONPDUEZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-19-15(17)14-9-8-13(20-16-14)11-18-10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3.
What are the key properties of ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate?
ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylate is sourced from PubChem (CID 129201855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).