3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one

C11H11ClN2O2 — CID 56693278

IUPAC3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one
SMILESCC1=NN(c2ccc(Cl)cc2)C(=O)OC1C
InChIInChI=1S/C11H11ClN2O2/c1-7-8(2)16-11(15)14(13-7)10-5-3-9(12)4-6-10/h3-6,8H,1-2H3
InChIKeyLZBCIUHAFKCWJY-UHFFFAOYSA-N
MW238.67 g/mol
LogP3.06
Rot. Bonds1

About 3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one

3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one (PubChem CID 56693278) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one
PubChem CID56693278
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one
SMILESCC1=NN(c2ccc(Cl)cc2)C(=O)OC1C
InChIInChI=1S/C11H11ClN2O2/c1-7-8(2)16-11(15)14(13-7)10-5-3-9(12)4-6-10/h3-6,8H,1-2H3
InChIKeyLZBCIUHAFKCWJY-UHFFFAOYSA-N
XLogP3.06
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-5-ethyl-6-methyl-6H-1,3,4-oxadiazin-2-one
CID 56692867
(4S)-2-(4-chlorophenyl)-4-ethyl-5-methyl-4H-pyrazol-3-one
CID 1202306
2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]-(2-hydroxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one
CID 5128089
(4S)-4-[(4-chlorophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 98219390
3-(4-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 14268537
(Z)-3-(4-chlorophenyl)-2-[[1-(4-fluorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]prop-2-enoic acid
CID 6373307
(4S)-3-(4-chlorophenyl)-4-[(4S)-3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-1,3-oxazolidin-2-one
CID 11429301
2-(4-chlorophenyl)-4-methyl-1H-triazol-5-one
CID 610581
ethyl (4S)-1-(4-chlorophenyl)-5-oxo-4H-pyrazole-4-carboxylate
CID 98136874
4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 139227486
(3aS,7aS)-2-(4-chlorophenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 964694
13-(4-chlorophenyl)-4-methyl-5,7-dithia-13,14-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3-trien-12-one
CID 10761180

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one (CID 56693278) is 3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one is CC1=NN(c2ccc(Cl)cc2)C(=O)OC1C.
What is the InChIKey of 3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one?
The InChIKey is LZBCIUHAFKCWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7-8(2)16-11(15)14(13-7)10-5-3-9(12)4-6-10/h3-6,8H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one?
3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one has a molecular weight of 238.67 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 56693278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).