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

C15H9ClN2O3 — CID 21323801

IUPAC6-(4-chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2ccc(Cl)cc2)oc(=O)n1-c1ccccc1
InChIInChI=1S/C15H9ClN2O3/c16-11-8-6-10(7-9-11)13-17-14(19)18(15(20)21-13)12-4-2-1-3-5-12/h1-9H
InChIKeyHEMKUDVXVRXWFW-UHFFFAOYSA-N
MW300.70 g/mol
LogP2.51
Rot. Bonds2

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

6-(4-chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione (PubChem CID 21323801) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione
PubChem CID21323801
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name6-(4-chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2ccc(Cl)cc2)oc(=O)n1-c1ccccc1
InChIInChI=1S/C15H9ClN2O3/c16-11-8-6-10(7-9-11)13-17-14(19)18(15(20)21-13)12-4-2-1-3-5-12/h1-9H
InChIKeyHEMKUDVXVRXWFW-UHFFFAOYSA-N
XLogP2.51
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 52.51
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
3-(4-Chlorophenyl)-5-phenyl-1,3,4-oxadiazol-2-one
CID 44408461
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
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-(2,6-Difluorophenyl)-3-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323798
6-(2-Chlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323805
6-(2,6-Difluorophenyl)-3-(2-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323807

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione?
The IUPAC name of 6-(4-chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione (CID 21323801) is 6-(4-chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione?
The canonical SMILES for 6-(4-chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione is O=c1nc(-c2ccc(Cl)cc2)oc(=O)n1-c1ccccc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione?
The InChIKey is HEMKUDVXVRXWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-11-8-6-10(7-9-11)13-17-14(19)18(15(20)21-13)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 6-(4-chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione?
6-(4-chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione has a molecular weight of 300.70 g/mol, XLogP of 2.51, 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-phenyl-1,3,5-oxadiazine-2,4-dione is sourced from PubChem (CID 21323801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).