6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione

C16H11ClN2O3 — CID 154306811

IUPAC6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione
SMILESCc1ccc(-n2c(=O)nc(-c3ccc(Cl)cc3)oc2=O)cc1
InChIInChI=1S/C16H11ClN2O3/c1-10-2-8-13(9-3-10)19-15(20)18-14(22-16(19)21)11-4-6-12(17)7-5-11/h2-9H,1H3
InChIKeyWURVOHNDGGGVRS-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.81
Rot. Bonds2

About 6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione

6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione (PubChem CID 154306811) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione
PubChem CID154306811
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione
SMILESCc1ccc(-n2c(=O)nc(-c3ccc(Cl)cc3)oc2=O)cc1
InChIInChI=1S/C16H11ClN2O3/c1-10-2-8-13(9-3-10)19-15(20)18-14(22-16(19)21)11-4-6-12(17)7-5-11/h2-9H,1H3
InChIKeyWURVOHNDGGGVRS-UHFFFAOYSA-N
XLogP2.81
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-4-methoxy-1-phenyl-quinazolin-2(1H)-one
CID 150132186
6-(2,6-Difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,5-oxadiazine-2,4-dione
CID 20449496
3-(3-Chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 20449498
6-(2-Chloro-6-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,5-oxadiazine-2,4-dione
CID 20449499
6-(2-Chlorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,5-oxadiazine-2,4-dione
CID 20449501
6-(2,6-Dichlorophenyl)-3-[4-(difluoromethyl)phenyl]-1,3,5-oxadiazine-2,4-dione
CID 20449502
3-(3,4-dichlorophenyl)-6-(2,6-difluorophenyl)-3,4-dihydro-2H-1,3,5-oxadiazin-2,4-dione
CID 20454004
6-(2-Chlorophenyl)-3-[2-sulfanyl-4-(trifluoromethyl)phenyl]-1,3,5-oxadiazine-2,4-dione
CID 20525629
3-(4-Fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323793
6-(2,6-Difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione
CID 21323794
6-(2-Chlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323805
6-(3,5-Dichlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323808

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione?
The IUPAC name of 6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione (CID 154306811) is 6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione?
The canonical SMILES for 6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione is Cc1ccc(-n2c(=O)nc(-c3ccc(Cl)cc3)oc2=O)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione?
The InChIKey is WURVOHNDGGGVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c1-10-2-8-13(9-3-10)19-15(20)18-14(22-16(19)21)11-4-6-12(17)7-5-11/h2-9H,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione?
6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione has a molecular weight of 314.73 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione is sourced from PubChem (CID 154306811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).