5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole

C18H20F2N4O2 — CID 126952873

IUPAC5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESFC(F)Cn1ccc2c(OC3CCN(Cc4ncno4)CC3)cccc21
InChIInChI=1S/C18H20F2N4O2/c19-17(20)10-24-9-6-14-15(24)2-1-3-16(14)25-13-4-7-23(8-5-13)11-18-21-12-22-26-18/h1-3,6,9,12-13,17H,4-5,7-8,10-11H2
InChIKeyKTRPLBNYMVUPFT-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.33
Rot. Bonds6

About 5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole

5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 126952873) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is 5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID126952873
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC Name5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESFC(F)Cn1ccc2c(OC3CCN(Cc4ncno4)CC3)cccc21
InChIInChI=1S/C18H20F2N4O2/c19-17(20)10-24-9-6-14-15(24)2-1-3-16(14)25-13-4-7-23(8-5-13)11-18-21-12-22-26-18/h1-3,6,9,12-13,17H,4-5,7-8,10-11H2
InChIKeyKTRPLBNYMVUPFT-UHFFFAOYSA-N
XLogP3.33
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[4-[1-(oxolan-3-yl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126953260
4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126952881
2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 126952869
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126951620
1-(2,2-difluoroethyl)-4-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperidin-4-yl]oxyindole
CID 126952840
4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole
CID 126952819
5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile
CID 126952930
[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 126952735
4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole
CID 126952428
6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126952834
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
CID 126952953
2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 126952627

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 126952873) is 5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole is FC(F)Cn1ccc2c(OC3CCN(Cc4ncno4)CC3)cccc21.
What is the InChIKey of 5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is KTRPLBNYMVUPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c19-17(20)10-24-9-6-14-15(24)2-1-3-16(14)25-13-4-7-23(8-5-13)11-18-21-12-22-26-18/h1-3,6,9,12-13,17H,4-5,7-8,10-11H2.
What are the key properties of 5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole?
5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 362.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126952873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).