2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone

C13H17NO3 — CID 110739630

IUPAC2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCCOC2)cc1
InChIInChI=1S/C13H17NO3/c1-11-3-5-12(6-4-11)17-9-13(15)14-7-2-8-16-10-14/h3-6H,2,7-10H2,1H3
InChIKeyNFOBYMIEAMCLHQ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.58
Rot. Bonds3

About 2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone

2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone (PubChem CID 110739630) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone
PubChem CID110739630
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCCOC2)cc1
InChIInChI=1S/C13H17NO3/c1-11-3-5-12(6-4-11)17-9-13(15)14-7-2-8-16-10-14/h3-6H,2,7-10H2,1H3
InChIKeyNFOBYMIEAMCLHQ-UHFFFAOYSA-N
XLogP1.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929
2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone
CID 71226962
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
4-chloro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108569907
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(4-methylphenoxy)ethanone
CID 110798942
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 120929707
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 80706485

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone?
The IUPAC name of 2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone (CID 110739630) is 2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone?
The canonical SMILES for 2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone is Cc1ccc(OCC(=O)N2CCCOC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone?
The InChIKey is NFOBYMIEAMCLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-11-3-5-12(6-4-11)17-9-13(15)14-7-2-8-16-10-14/h3-6H,2,7-10H2,1H3.
What are the key properties of 2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone?
2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone has a molecular weight of 235.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone is sourced from PubChem (CID 110739630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).