3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one

C20H19Cl2NO2 — CID 15604135

IUPAC3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)CO1
InChIInChI=1S/C20H19Cl2NO2/c1-13-18(14-7-5-4-6-8-14)19(24)23(12-25-13)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3
InChIKeyFCOHEOSCARXMMS-UHFFFAOYSA-N
MW376.28 g/mol
LogP5.48
Rot. Bonds3

About 3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one

3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one (PubChem CID 15604135) has the molecular formula C20H19Cl2NO2 and a molecular weight of 376.28 g/mol. Its IUPAC name is 3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
PubChem CID15604135
Molecular FormulaC20H19Cl2NO2
Molecular Weight376.28 g/mol
Exact Mass375.08
IUPAC Name3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)CO1
InChIInChI=1S/C20H19Cl2NO2/c1-13-18(14-7-5-4-6-8-14)19(24)23(12-25-13)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3
InChIKeyFCOHEOSCARXMMS-UHFFFAOYSA-N
XLogP5.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.28
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one
CID 15754263
N-(3,5-Dichloro-benzyl)-N-methyl-3,3-diphenyl-propionamide
CID 44287556
3,5-dichloro-N-fluoro-N-(2-methyl-5-phenylpentan-2-yl)benzamide
CID 162405173
1-[1-Methyl-1-(3-chloro-5-fluorophenyl)ethyl]-4,5-dimethyl-3-(2-fluorophenyl)-3-pyrroline-2-one
CID 15240643
1-[2-(3-chloro-5-fluorophenyl)propan-2-yl]-2,3-dimethyl-4-phenyl-2H-pyrrol-5-one
CID 15240644
1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one
CID 15240652
1-[2-(3-chloro-4-fluorophenyl)propan-2-yl]-2,3-dimethyl-4-phenyl-2H-pyrrol-5-one
CID 15240653
1-[1-Methyl-1-(3-chlorophenyl)ethyl]-4,5-dimethyl-3-(2-fluorophenyl)-3-pyrroline-2-one
CID 15240666
N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-(2-fluorophenyl)-N-(3-oxobutan-2-yl)acetamide
CID 15240669
1-[2-(3,5-dichlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-2,3-dimethyl-2H-pyrrol-5-one
CID 15240670
5-(2-fluorophenyl)-6-methyl-3-[1-methyl-1-(3-chlorophenyl)ethyl]-2,3-dihydro-4H-1,3-oxazin-4-one
CID 15300848
1-[2-(3-Chlorophenyl)propan-2-yl]-5-(2-fluorophenyl)-2,3-dihydropyridin-6-one
CID 15754206

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one (CID 15604135) is 3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one is CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)CO1.
What is the InChIKey of 3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is FCOHEOSCARXMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO2/c1-13-18(14-7-5-4-6-8-14)19(24)23(12-25-13)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3.
What are the key properties of 3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 376.28 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dichlorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 15604135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).