(2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one

C12H10F3N3O2 — CID 2372957

IUPAC(2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one
SMILESO=C1N[C@](c2ccccc2)(C(F)(F)F)OC2=NCCN12
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)11(8-4-2-1-3-5-8)17-9(19)18-7-6-16-10(18)20-11/h1-5H,6-7H2,(H,17,19)/t11-/m0/s1
InChIKeyFVFREYCUKZLTDE-NSHDSACASA-N
MW285.22 g/mol
LogP1.81
Rot. Bonds1

About (2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one

(2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one (PubChem CID 2372957) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.22 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one.

Molecular Properties

Compound Name(2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one
PubChem CID2372957
Molecular FormulaC12H10F3N3O2
Molecular Weight285.22 g/mol
Exact Mass285.07
IUPAC Name(2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one
SMILESO=C1N[C@](c2ccccc2)(C(F)(F)F)OC2=NCCN12
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)11(8-4-2-1-3-5-8)17-9(19)18-7-6-16-10(18)20-11/h1-5H,6-7H2,(H,17,19)/t11-/m0/s1
InChIKeyFVFREYCUKZLTDE-NSHDSACASA-N
XLogP1.81
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one?
The IUPAC name of (2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one (CID 2372957) is (2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one.
What is the SMILES notation for (2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one?
The canonical SMILES for (2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one is O=C1N[C@](c2ccccc2)(C(F)(F)F)OC2=NCCN12.
What is the InChIKey of (2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one?
The InChIKey is FVFREYCUKZLTDE-NSHDSACASA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)11(8-4-2-1-3-5-8)17-9(19)18-7-6-16-10(18)20-11/h1-5H,6-7H2,(H,17,19)/t11-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one?
(2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one has a molecular weight of 285.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-(trifluoromethyl)-6,7-dihydro-3H-imidazo[2,1-b][1,3,5]oxadiazin-4-one is sourced from PubChem (CID 2372957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).