1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

C19H18F4N4O4 — CID 178008712

IUPAC1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESFOc1cccc(C(F)(F)F)n1.OC1CCN(c2nnc(-c3ccccc3)o2)CC1O
InChIInChI=1S/C13H15N3O3.C6H3F4NO/c17-10-6-7-16(8-11(10)18)13-15-14-12(19-13)9-4-2-1-3-5-9;7-6(8,9)4-2-1-3-5(11-4)12-10/h1-5,10-11,17-18H,6-8H2;1-3H
InChIKeyMRYVOIKCTCTHKD-UHFFFAOYSA-N
MW442.37 g/mol
LogP3.03
Rot. Bonds3

About 1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 178008712) has the molecular formula C19H18F4N4O4 and a molecular weight of 442.37 g/mol. Its IUPAC name is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

Compound Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
PubChem CID178008712
Molecular FormulaC19H18F4N4O4
Molecular Weight442.37 g/mol
Exact Mass442.13
IUPAC Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESFOc1cccc(C(F)(F)F)n1.OC1CCN(c2nnc(-c3ccccc3)o2)CC1O
InChIInChI=1S/C13H15N3O3.C6H3F4NO/c17-10-6-7-16(8-11(10)18)13-15-14-12(19-13)9-4-2-1-3-5-9;7-6(8,9)4-2-1-3-5(11-4)12-10/h1-5,10-11,17-18H,6-8H2;1-3H
InChIKeyMRYVOIKCTCTHKD-UHFFFAOYSA-N
XLogP3.03
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-Phenyl-5-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-oxadiazole
CID 166105108
(3S,4S,5S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 177775724
(3aS,7S,7aR)-2,2-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
CID 177775893
1-(5-Methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 178007496

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 178008712) is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.
What is the SMILES notation for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The canonical SMILES for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is FOc1cccc(C(F)(F)F)n1.OC1CCN(c2nnc(-c3ccccc3)o2)CC1O.
What is the InChIKey of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The InChIKey is MRYVOIKCTCTHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3.C6H3F4NO/c17-10-6-7-16(8-11(10)18)13-15-14-12(19-13)9-4-2-1-3-5-9;7-6(8,9)4-2-1-3-5(11-4)12-10/h1-5,10-11,17-18H,6-8H2;1-3H.
What are the key properties of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 442.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 178008712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).