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

C15H8Cl2N2O3 — CID 21323812

IUPAC3,6-bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2ccc(Cl)cc2)oc(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2N2O3/c16-10-3-1-9(2-4-10)13-18-14(20)19(15(21)22-13)12-7-5-11(17)6-8-12/h1-8H
InChIKeyOPLHLSSAKBBRGH-UHFFFAOYSA-N
MW335.15 g/mol
LogP3.16
Rot. Bonds2

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

3,6-bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione (PubChem CID 21323812) has the molecular formula C15H8Cl2N2O3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 3,6-bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione.

Molecular Properties

Compound Name3,6-bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione
PubChem CID21323812
Molecular FormulaC15H8Cl2N2O3
Molecular Weight335.15 g/mol
Exact Mass333.99
IUPAC Name3,6-bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2ccc(Cl)cc2)oc(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2N2O3/c16-10-3-1-9(2-4-10)13-18-14(20)19(15(21)22-13)12-7-5-11(17)6-8-12/h1-8H
InChIKeyOPLHLSSAKBBRGH-UHFFFAOYSA-N
XLogP3.16
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione?
The IUPAC name of 3,6-bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione (CID 21323812) is 3,6-bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione.
What is the SMILES notation for 3,6-bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione?
The canonical SMILES for 3,6-bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione is O=c1nc(-c2ccc(Cl)cc2)oc(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3,6-bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione?
The InChIKey is OPLHLSSAKBBRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O3/c16-10-3-1-9(2-4-10)13-18-14(20)19(15(21)22-13)12-7-5-11(17)6-8-12/h1-8H.
What are the key properties of 3,6-bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione?
3,6-bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione has a molecular weight of 335.15 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione is sourced from PubChem (CID 21323812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).