3,6-diphenyl-1,3,5-oxadiazine-2,4-dione

C15H10N2O3 — CID 12655636

IUPAC3,6-diphenyl-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2ccccc2)oc(=O)n1-c1ccccc1
InChIInChI=1S/C15H10N2O3/c18-14-16-13(11-7-3-1-4-8-11)20-15(19)17(14)12-9-5-2-6-10-12/h1-10H
InChIKeyOBUXWJXLQCGJNE-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.85
Rot. Bonds2

About 3,6-diphenyl-1,3,5-oxadiazine-2,4-dione

3,6-diphenyl-1,3,5-oxadiazine-2,4-dione (PubChem CID 12655636) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3,6-diphenyl-1,3,5-oxadiazine-2,4-dione.

Molecular Properties

Compound Name3,6-diphenyl-1,3,5-oxadiazine-2,4-dione
PubChem CID12655636
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name3,6-diphenyl-1,3,5-oxadiazine-2,4-dione
SMILESO=c1nc(-c2ccccc2)oc(=O)n1-c1ccccc1
InChIInChI=1S/C15H10N2O3/c18-14-16-13(11-7-3-1-4-8-11)20-15(19)17(14)12-9-5-2-6-10-12/h1-10H
InChIKeyOBUXWJXLQCGJNE-UHFFFAOYSA-N
XLogP1.85
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-1,3,5-oxadiazine-2,4-dione?
The IUPAC name of 3,6-diphenyl-1,3,5-oxadiazine-2,4-dione (CID 12655636) is 3,6-diphenyl-1,3,5-oxadiazine-2,4-dione.
What is the SMILES notation for 3,6-diphenyl-1,3,5-oxadiazine-2,4-dione?
The canonical SMILES for 3,6-diphenyl-1,3,5-oxadiazine-2,4-dione is O=c1nc(-c2ccccc2)oc(=O)n1-c1ccccc1.
What is the InChIKey of 3,6-diphenyl-1,3,5-oxadiazine-2,4-dione?
The InChIKey is OBUXWJXLQCGJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-14-16-13(11-7-3-1-4-8-11)20-15(19)17(14)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 3,6-diphenyl-1,3,5-oxadiazine-2,4-dione?
3,6-diphenyl-1,3,5-oxadiazine-2,4-dione has a molecular weight of 266.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-1,3,5-oxadiazine-2,4-dione is sourced from PubChem (CID 12655636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).