(5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one

C15H12N2O2 — CID 13063059

IUPAC(5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one
SMILESO=C1OC(c2ccccc2)=NN[C@@H]1c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-15-13(11-7-3-1-4-8-11)16-17-14(19-15)12-9-5-2-6-10-12/h1-10,13,16H/t13-/m1/s1
InChIKeyMDDCRRYRJVAXHV-CYBMUJFWSA-N
MW252.27 g/mol
LogP2.24
Rot. Bonds2

About (5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one

(5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one (PubChem CID 13063059) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one.

Molecular Properties

Compound Name(5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one
PubChem CID13063059
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one
SMILESO=C1OC(c2ccccc2)=NN[C@@H]1c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-15-13(11-7-3-1-4-8-11)16-17-14(19-15)12-9-5-2-6-10-12/h1-10,13,16H/t13-/m1/s1
InChIKeyMDDCRRYRJVAXHV-CYBMUJFWSA-N
XLogP2.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one?
The IUPAC name of (5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one (CID 13063059) is (5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one.
What is the SMILES notation for (5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one?
The canonical SMILES for (5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one is O=C1OC(c2ccccc2)=NN[C@@H]1c1ccccc1.
What is the InChIKey of (5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one?
The InChIKey is MDDCRRYRJVAXHV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15-13(11-7-3-1-4-8-11)16-17-14(19-15)12-9-5-2-6-10-12/h1-10,13,16H/t13-/m1/s1.
What are the key properties of (5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one?
(5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one has a molecular weight of 252.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one is sourced from PubChem (CID 13063059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).