5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one

C9H8N2O2 — CID 22068087

IUPAC5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NNC(c2ccccc2)=CO1
InChIInChI=1S/C9H8N2O2/c12-9-11-10-8(6-13-9)7-4-2-1-3-5-7/h1-6,10H,(H,11,12)
InChIKeyKRNUNADKNBVIOQ-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.23
Rot. Bonds1

About 5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one

5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 22068087) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one
PubChem CID22068087
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NNC(c2ccccc2)=CO1
InChIInChI=1S/C9H8N2O2/c12-9-11-10-8(6-13-9)7-4-2-1-3-5-7/h1-6,10H,(H,11,12)
InChIKeyKRNUNADKNBVIOQ-UHFFFAOYSA-N
XLogP1.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one (CID 22068087) is 5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one is O=C1NNC(c2ccccc2)=CO1.
What is the InChIKey of 5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is KRNUNADKNBVIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-9-11-10-8(6-13-9)7-4-2-1-3-5-7/h1-6,10H,(H,11,12).
What are the key properties of 5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one?
5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 176.17 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3,4-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 22068087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).