3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one

C14H19NO3 — CID 110739649

IUPAC3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCCOC1
InChIInChI=1S/C14H19NO3/c1-17-13-6-3-2-5-12(13)7-8-14(16)15-9-4-10-18-11-15/h2-3,5-6H,4,7-11H2,1H3
InChIKeyXBCWBZSUMOVQOX-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.83
Rot. Bonds4

About 3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one

3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one (PubChem CID 110739649) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
PubChem CID110739649
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCCOC1
InChIInChI=1S/C14H19NO3/c1-17-13-6-3-2-5-12(13)7-8-14(16)15-9-4-10-18-11-15/h2-3,5-6H,4,7-11H2,1H3
InChIKeyXBCWBZSUMOVQOX-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865
1-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471047
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
CID 110739650
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 18456289
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(2-methoxyphenyl)propan-1-one
CID 119635537
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 95758872
1-[(3S)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 99787961
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 112537622
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 39711237

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one (CID 110739649) is 3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one is COc1ccccc1CCC(=O)N1CCCOC1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one?
The InChIKey is XBCWBZSUMOVQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13-6-3-2-5-12(13)7-8-14(16)15-9-4-10-18-11-15/h2-3,5-6H,4,7-11H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one?
3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one has a molecular weight of 249.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one is sourced from PubChem (CID 110739649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).