4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide

C19H15FN4O4S — CID 166355706

IUPAC4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(-c2nc(Cc3ccno3)no2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O4S/c20-15-4-6-17(7-5-15)29(25,26)22-12-13-2-1-3-14(10-13)19-23-18(24-28-19)11-16-8-9-21-27-16/h1-10,22H,11-12H2
InChIKeyJMXMBYXPJIYPKL-UHFFFAOYSA-N
MW414.42 g/mol
LogP2.93
Rot. Bonds7

About 4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide

4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide (PubChem CID 166355706) has the molecular formula C19H15FN4O4S and a molecular weight of 414.42 g/mol. Its IUPAC name is 4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide
PubChem CID166355706
Molecular FormulaC19H15FN4O4S
Molecular Weight414.42 g/mol
Exact Mass414.08
IUPAC Name4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(-c2nc(Cc3ccno3)no2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O4S/c20-15-4-6-17(7-5-15)29(25,26)22-12-13-2-1-3-14(10-13)19-23-18(24-28-19)11-16-8-9-21-27-16/h1-10,22H,11-12H2
InChIKeyJMXMBYXPJIYPKL-UHFFFAOYSA-N
XLogP2.93
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide (CID 166355706) is 4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(-c2nc(Cc3ccno3)no2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide?
The InChIKey is JMXMBYXPJIYPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4S/c20-15-4-6-17(7-5-15)29(25,26)22-12-13-2-1-3-14(10-13)19-23-18(24-28-19)11-16-8-9-21-27-16/h1-10,22H,11-12H2.
What are the key properties of 4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide?
4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide has a molecular weight of 414.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 166355706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).