6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one

C16H21NO4 — CID 21189812

IUPAC6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one
SMILESCOc1ccc(C2CCNC(=O)O2)cc1OCC1CCC1
InChIInChI=1S/C16H21NO4/c1-19-14-6-5-12(13-7-8-17-16(18)21-13)9-15(14)20-10-11-3-2-4-11/h5-6,9,11,13H,2-4,7-8,10H2,1H3,(H,17,18)
InChIKeyFRMSLCYRTSMYCH-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.05
Rot. Bonds5

About 6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one

6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one (PubChem CID 21189812) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one
PubChem CID21189812
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one
SMILESCOc1ccc(C2CCNC(=O)O2)cc1OCC1CCC1
InChIInChI=1S/C16H21NO4/c1-19-14-6-5-12(13-7-8-17-16(18)21-13)9-15(14)20-10-11-3-2-4-11/h5-6,9,11,13H,2-4,7-8,10H2,1H3,(H,17,18)
InChIKeyFRMSLCYRTSMYCH-UHFFFAOYSA-N
XLogP3.05
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one 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 6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one?
The IUPAC name of 6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one (CID 21189812) is 6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one?
The canonical SMILES for 6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one is COc1ccc(C2CCNC(=O)O2)cc1OCC1CCC1.
What is the InChIKey of 6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one?
The InChIKey is FRMSLCYRTSMYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-19-14-6-5-12(13-7-8-17-16(18)21-13)9-15(14)20-10-11-3-2-4-11/h5-6,9,11,13H,2-4,7-8,10H2,1H3,(H,17,18).
What are the key properties of 6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one?
6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one has a molecular weight of 291.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(cyclobutylmethoxy)-4-methoxyphenyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 21189812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).