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

C18H20FN5O3S — CID 50831952

IUPAC5-(3-fluoro-4-methylphenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(Cn3cnc(S(=O)(=O)N4CCCCC4)c3)no2)cc1F
InChIInChI=1S/C18H20FN5O3S/c1-13-5-6-14(9-15(13)19)18-21-16(22-27-18)10-23-11-17(20-12-23)28(25,26)24-7-3-2-4-8-24/h5-6,9,11-12H,2-4,7-8,10H2,1H3
InChIKeyBPHXBDUJRNLFQV-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.60
Rot. Bonds5

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

5-(3-fluoro-4-methylphenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 50831952) has the molecular formula C18H20FN5O3S and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID50831952
Molecular FormulaC18H20FN5O3S
Molecular Weight405.46 g/mol
Exact Mass405.13
IUPAC Name5-(3-fluoro-4-methylphenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(Cn3cnc(S(=O)(=O)N4CCCCC4)c3)no2)cc1F
InChIInChI=1S/C18H20FN5O3S/c1-13-5-6-14(9-15(13)19)18-21-16(22-27-18)10-23-11-17(20-12-23)28(25,26)24-7-3-2-4-8-24/h5-6,9,11-12H,2-4,7-8,10H2,1H3
InChIKeyBPHXBDUJRNLFQV-UHFFFAOYSA-N
XLogP2.60
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(3-fluoro-4-methylphenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 50831952) is 5-(3-fluoro-4-methylphenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole is Cc1ccc(-c2nc(Cn3cnc(S(=O)(=O)N4CCCCC4)c3)no2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is BPHXBDUJRNLFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3S/c1-13-5-6-14(9-15(13)19)18-21-16(22-27-18)10-23-11-17(20-12-23)28(25,26)24-7-3-2-4-8-24/h5-6,9,11-12H,2-4,7-8,10H2,1H3.
What are the key properties of 5-(3-fluoro-4-methylphenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
5-(3-fluoro-4-methylphenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 405.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-3-[(4-piperidin-1-ylsulfonylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 50831952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).