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

C17H18FN5O3S — CID 50831925

IUPAC5-(2-fluorophenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1cn(Cc2noc(-c3ccccc3F)n2)cn1)N1CCCCC1
InChIInChI=1S/C17H18FN5O3S/c18-14-7-3-2-6-13(14)17-20-15(21-26-17)10-22-11-16(19-12-22)27(24,25)23-8-4-1-5-9-23/h2-3,6-7,11-12H,1,4-5,8-10H2
InChIKeyQUFVQPFLNXICPH-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.30
Rot. Bonds5

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

5-(2-fluorophenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 50831925) has the molecular formula C17H18FN5O3S and a molecular weight of 391.43 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID50831925
Molecular FormulaC17H18FN5O3S
Molecular Weight391.43 g/mol
Exact Mass391.11
IUPAC Name5-(2-fluorophenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESO=S(=O)(c1cn(Cc2noc(-c3ccccc3F)n2)cn1)N1CCCCC1
InChIInChI=1S/C17H18FN5O3S/c18-14-7-3-2-6-13(14)17-20-15(21-26-17)10-22-11-16(19-12-22)27(24,25)23-8-4-1-5-9-23/h2-3,6-7,11-12H,1,4-5,8-10H2
InChIKeyQUFVQPFLNXICPH-UHFFFAOYSA-N
XLogP2.30
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-fluorophenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 50831925) is 5-(2-fluorophenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-fluorophenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-fluorophenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole is O=S(=O)(c1cn(Cc2noc(-c3ccccc3F)n2)cn1)N1CCCCC1.
What is the InChIKey of 5-(2-fluorophenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is QUFVQPFLNXICPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O3S/c18-14-7-3-2-6-13(14)17-20-15(21-26-17)10-22-11-16(19-12-22)27(24,25)23-8-4-1-5-9-23/h2-3,6-7,11-12H,1,4-5,8-10H2.
What are the key properties of 5-(2-fluorophenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
5-(2-fluorophenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 391.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 50831925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).