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

C14H17NO3 — CID 25197668

IUPACethyl 3-(4-methylphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate
SMILESCCOC(=O)C1CCC(c2ccc(C)cc2)=NO1
InChIInChI=1S/C14H17NO3/c1-3-17-14(16)13-9-8-12(15-18-13)11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3
InChIKeyJMRLILDPPVFAJI-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.44
Rot. Bonds3

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

ethyl 3-(4-methylphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate (PubChem CID 25197668) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl 3-(4-methylphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methylphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate
PubChem CID25197668
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nameethyl 3-(4-methylphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate
SMILESCCOC(=O)C1CCC(c2ccc(C)cc2)=NO1
InChIInChI=1S/C14H17NO3/c1-3-17-14(16)13-9-8-12(15-18-13)11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3
InChIKeyJMRLILDPPVFAJI-UHFFFAOYSA-N
XLogP2.44
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(4-methylphenyl)-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-methylphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate?
The IUPAC name of ethyl 3-(4-methylphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate (CID 25197668) is ethyl 3-(4-methylphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate.
What is the SMILES notation for ethyl 3-(4-methylphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate?
The canonical SMILES for ethyl 3-(4-methylphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate is CCOC(=O)C1CCC(c2ccc(C)cc2)=NO1.
What is the InChIKey of ethyl 3-(4-methylphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate?
The InChIKey is JMRLILDPPVFAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-17-14(16)13-9-8-12(15-18-13)11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of ethyl 3-(4-methylphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate?
ethyl 3-(4-methylphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methylphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate is sourced from PubChem (CID 25197668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).