1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C22H22F3N3O3 — CID 26323075

IUPAC1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(Cc2nc(COc3ccccc3)no2)CC1
InChIInChI=1S/C22H22F3N3O3/c23-22(24,25)17-6-4-5-16(13-17)21(29)9-11-28(12-10-21)14-20-26-19(27-31-20)15-30-18-7-2-1-3-8-18/h1-8,13,29H,9-12,14-15H2
InChIKeyZBNQTNHFENAVBR-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.15
Rot. Bonds6

About 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 26323075) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID26323075
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC Name1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(Cc2nc(COc3ccccc3)no2)CC1
InChIInChI=1S/C22H22F3N3O3/c23-22(24,25)17-6-4-5-16(13-17)21(29)9-11-28(12-10-21)14-20-26-19(27-31-20)15-30-18-7-2-1-3-8-18/h1-8,13,29H,9-12,14-15H2
InChIKeyZBNQTNHFENAVBR-UHFFFAOYSA-N
XLogP4.15
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 26323075) is 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2nc(COc3ccccc3)no2)CC1.
What is the InChIKey of 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is ZBNQTNHFENAVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c23-22(24,25)17-6-4-5-16(13-17)21(29)9-11-28(12-10-21)14-20-26-19(27-31-20)15-30-18-7-2-1-3-8-18/h1-8,13,29H,9-12,14-15H2.
What are the key properties of 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 433.43 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 26323075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).