5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine

C11H14N2O2 — CID 132532588

IUPAC5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine
SMILESCCOC1CONC(c2ccccc2)=N1
InChIInChI=1S/C11H14N2O2/c1-2-14-10-8-15-13-11(12-10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13)
InChIKeyDNBQBTCDZVFQGM-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.33
Rot. Bonds3

About 5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine

5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine (PubChem CID 132532588) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine.

Molecular Properties

Compound Name5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine
PubChem CID132532588
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine
SMILESCCOC1CONC(c2ccccc2)=N1
InChIInChI=1S/C11H14N2O2/c1-2-14-10-8-15-13-11(12-10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13)
InChIKeyDNBQBTCDZVFQGM-UHFFFAOYSA-N
XLogP1.33
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine?
The IUPAC name of 5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine (CID 132532588) is 5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine.
What is the SMILES notation for 5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine?
The canonical SMILES for 5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine is CCOC1CONC(c2ccccc2)=N1.
What is the InChIKey of 5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine?
The InChIKey is DNBQBTCDZVFQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-14-10-8-15-13-11(12-10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13).
What are the key properties of 5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine?
5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine has a molecular weight of 206.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine is sourced from PubChem (CID 132532588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).