3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole

C17H20FN3O4S — CID 163339762

IUPAC3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(OCc2nc(C3CC3)no2)CC1
InChIInChI=1S/C17H20FN3O4S/c18-13-3-5-15(6-4-13)26(22,23)21-9-7-14(8-10-21)24-11-16-19-17(20-25-16)12-1-2-12/h3-6,12,14H,1-2,7-11H2
InChIKeyATHCIBKAJMLWOX-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.46
Rot. Bonds6

About 3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole (PubChem CID 163339762) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole
PubChem CID163339762
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC Name3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(OCc2nc(C3CC3)no2)CC1
InChIInChI=1S/C17H20FN3O4S/c18-13-3-5-15(6-4-13)26(22,23)21-9-7-14(8-10-21)24-11-16-19-17(20-25-16)12-1-2-12/h3-6,12,14H,1-2,7-11H2
InChIKeyATHCIBKAJMLWOX-UHFFFAOYSA-N
XLogP2.46
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 50835872
3-cyclopropyl-5-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 163338577
3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 53130747
4-(azepan-1-ylsulfonyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60535047
1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine
CID 91918358
O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
CID 39390371
2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
CID 163338975
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methylpiperidine-1-carboxamide
CID 163339507
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzenesulfonamide
CID 82913730
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 163339001
1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one
CID 87053136
3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonamide
CID 82912816

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole (CID 163339762) is 3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole is O=S(=O)(c1ccc(F)cc1)N1CCC(OCc2nc(C3CC3)no2)CC1.
What is the InChIKey of 3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole?
The InChIKey is ATHCIBKAJMLWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c18-13-3-5-15(6-4-13)26(22,23)21-9-7-14(8-10-21)24-11-16-19-17(20-25-16)12-1-2-12/h3-6,12,14H,1-2,7-11H2.
What are the key properties of 3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole has a molecular weight of 381.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 163339762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).