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

C17H22FN3O2 — CID 45202615

IUPAC3-[(3-fluorophenyl)methyl]-5-[[2-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCC1CCCCN1Cc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C17H22FN3O2/c1-22-12-15-7-2-3-8-21(15)11-17-19-16(20-23-17)10-13-5-4-6-14(18)9-13/h4-6,9,15H,2-3,7-8,10-12H2,1H3
InChIKeyYALWLUKKDUUNLW-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.80
Rot. Bonds6

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

3-[(3-fluorophenyl)methyl]-5-[[2-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 45202615) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-5-[[2-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-5-[[2-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID45202615
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name3-[(3-fluorophenyl)methyl]-5-[[2-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCC1CCCCN1Cc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C17H22FN3O2/c1-22-12-15-7-2-3-8-21(15)11-17-19-16(20-23-17)10-13-5-4-6-14(18)9-13/h4-6,9,15H,2-3,7-8,10-12H2,1H3
InChIKeyYALWLUKKDUUNLW-UHFFFAOYSA-N
XLogP2.80
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-5-[[2-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-5-[[2-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 45202615) is 3-[(3-fluorophenyl)methyl]-5-[[2-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-5-[[2-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-5-[[2-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is COCC1CCCCN1Cc1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-5-[[2-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is YALWLUKKDUUNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-22-12-15-7-2-3-8-21(15)11-17-19-16(20-23-17)10-13-5-4-6-14(18)9-13/h4-6,9,15H,2-3,7-8,10-12H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-5-[[2-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-[(3-fluorophenyl)methyl]-5-[[2-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 319.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-5-[[2-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 45202615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).