2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone

C12H16N2O3 — CID 71226962

IUPAC2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCONC2)cc1
InChIInChI=1S/C12H16N2O3/c1-10-2-4-11(5-3-10)16-8-12(15)14-6-7-17-13-9-14/h2-5,13H,6-9H2,1H3
InChIKeyAWMCXVJQGKGYQD-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.69
Rot. Bonds3

About 2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone

2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone (PubChem CID 71226962) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone
PubChem CID71226962
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCONC2)cc1
InChIInChI=1S/C12H16N2O3/c1-10-2-4-11(5-3-10)16-8-12(15)14-6-7-17-13-9-14/h2-5,13H,6-9H2,1H3
InChIKeyAWMCXVJQGKGYQD-UHFFFAOYSA-N
XLogP0.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-(4-methylphenoxy)-1-(1,3-oxazinan-3-yl)ethanone
CID 110739630
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-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
1-(5-methyl-1,4-diazepan-1-yl)-2-(4-methylphenoxy)ethanone
CID 82246426
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 129316369
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 80706485
1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 108730604
2,2,2-trifluoro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533453

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone?
The IUPAC name of 2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone (CID 71226962) is 2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone?
The canonical SMILES for 2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone is Cc1ccc(OCC(=O)N2CCONC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone?
The InChIKey is AWMCXVJQGKGYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-10-2-4-11(5-3-10)16-8-12(15)14-6-7-17-13-9-14/h2-5,13H,6-9H2,1H3.
What are the key properties of 2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone?
2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone has a molecular weight of 236.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-(1,2,4-oxadiazinan-4-yl)ethanone is sourced from PubChem (CID 71226962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).