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

C14H17NO4 — CID 25197795

IUPACethyl 3-(4-methoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate
SMILESCCOC(=O)C1CCC(c2ccc(OC)cc2)=NO1
InChIInChI=1S/C14H17NO4/c1-3-18-14(16)13-9-8-12(15-19-13)10-4-6-11(17-2)7-5-10/h4-7,13H,3,8-9H2,1-2H3
InChIKeyNBKWEFKBEUEWNZ-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.14
Rot. Bonds4

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

ethyl 3-(4-methoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate (PubChem CID 25197795) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl 3-(4-methoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate
PubChem CID25197795
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl 3-(4-methoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate
SMILESCCOC(=O)C1CCC(c2ccc(OC)cc2)=NO1
InChIInChI=1S/C14H17NO4/c1-3-18-14(16)13-9-8-12(15-19-13)10-4-6-11(17-2)7-5-10/h4-7,13H,3,8-9H2,1-2H3
InChIKeyNBKWEFKBEUEWNZ-UHFFFAOYSA-N
XLogP2.14
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(4-methoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate?
The IUPAC name of ethyl 3-(4-methoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate (CID 25197795) is ethyl 3-(4-methoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate.
What is the SMILES notation for ethyl 3-(4-methoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate?
The canonical SMILES for ethyl 3-(4-methoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate is CCOC(=O)C1CCC(c2ccc(OC)cc2)=NO1.
What is the InChIKey of ethyl 3-(4-methoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate?
The InChIKey is NBKWEFKBEUEWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-18-14(16)13-9-8-12(15-19-13)10-4-6-11(17-2)7-5-10/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of ethyl 3-(4-methoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate?
ethyl 3-(4-methoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxyphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate is sourced from PubChem (CID 25197795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).