3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole

C18H20FN5O2 — CID 95110626

IUPAC3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
SMILESCCc1noc([C@@H]2CCCCN2Cc2nc(-c3ccccc3F)no2)n1
InChIInChI=1S/C18H20FN5O2/c1-2-15-20-18(26-22-15)14-9-5-6-10-24(14)11-16-21-17(23-25-16)12-7-3-4-8-13(12)19/h3-4,7-8,14H,2,5-6,9-11H2,1H3/t14-/m0/s1
InChIKeyHEGGRRVBKADTNN-AWEZNQCLSA-N
MW357.39 g/mol
LogP3.55
Rot. Bonds5

About 3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole

3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 95110626) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID95110626
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
SMILESCCc1noc([C@@H]2CCCCN2Cc2nc(-c3ccccc3F)no2)n1
InChIInChI=1S/C18H20FN5O2/c1-2-15-20-18(26-22-15)14-9-5-6-10-24(14)11-16-21-17(23-25-16)12-7-3-4-8-13(12)19/h3-4,7-8,14H,2,5-6,9-11H2,1H3/t14-/m0/s1
InChIKeyHEGGRRVBKADTNN-AWEZNQCLSA-N
XLogP3.55
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110628
3-(4-fluorophenyl)-5-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95110579
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53191893
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 78084856
3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51593014
(E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 51984750
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
CID 71823752
5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95110558
5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole
CID 56728144
[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 56728139

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole (CID 95110626) is 3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole is CCc1noc([C@@H]2CCCCN2Cc2nc(-c3ccccc3F)no2)n1.
What is the InChIKey of 3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is HEGGRRVBKADTNN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-2-15-20-18(26-22-15)14-9-5-6-10-24(14)11-16-21-17(23-25-16)12-7-3-4-8-13(12)19/h3-4,7-8,14H,2,5-6,9-11H2,1H3/t14-/m0/s1.
What are the key properties of 3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole?
3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 357.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95110626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).