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

C15H19NO5 — CID 25197797

IUPACethyl 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate
SMILESCCOC(=O)C1CCC(c2ccc(OC)c(OC)c2)=NO1
InChIInChI=1S/C15H19NO5/c1-4-20-15(17)13-8-6-11(16-21-13)10-5-7-12(18-2)14(9-10)19-3/h5,7,9,13H,4,6,8H2,1-3H3
InChIKeyKXIIFXWRNPRMJU-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.15
Rot. Bonds5

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

ethyl 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate (PubChem CID 25197797) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate
PubChem CID25197797
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Nameethyl 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate
SMILESCCOC(=O)C1CCC(c2ccc(OC)c(OC)c2)=NO1
InChIInChI=1S/C15H19NO5/c1-4-20-15(17)13-8-6-11(16-21-13)10-5-7-12(18-2)14(9-10)19-3/h5,7,9,13H,4,6,8H2,1-3H3
InChIKeyKXIIFXWRNPRMJU-UHFFFAOYSA-N
XLogP2.15
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate?
The IUPAC name of ethyl 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate (CID 25197797) is ethyl 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate.
What is the SMILES notation for ethyl 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate?
The canonical SMILES for ethyl 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate is CCOC(=O)C1CCC(c2ccc(OC)c(OC)c2)=NO1.
What is the InChIKey of ethyl 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate?
The InChIKey is KXIIFXWRNPRMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-4-20-15(17)13-8-6-11(16-21-13)10-5-7-12(18-2)14(9-10)19-3/h5,7,9,13H,4,6,8H2,1-3H3.
What are the key properties of ethyl 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate?
ethyl 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate is sourced from PubChem (CID 25197797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).