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

C19H15FN4O4S — CID 166213122

IUPAC4-fluoro-N-[2-methyl-5-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
SMILESCc1ccc(-c2nc(Cc3ccno3)no2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O4S/c1-12-2-3-13(19-22-18(23-28-19)11-15-8-9-21-27-15)10-17(12)24-29(25,26)16-6-4-14(20)5-7-16/h2-10,24H,11H2,1H3
InChIKeyBDOFPDYRKVPLFA-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.56
Rot. Bonds6

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

4-fluoro-N-[2-methyl-5-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide (PubChem CID 166213122) has the molecular formula C19H15FN4O4S and a molecular weight of 414.42 g/mol. Its IUPAC name is 4-fluoro-N-[2-methyl-5-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methyl-5-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
PubChem CID166213122
Molecular FormulaC19H15FN4O4S
Molecular Weight414.42 g/mol
Exact Mass414.08
IUPAC Name4-fluoro-N-[2-methyl-5-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
SMILESCc1ccc(-c2nc(Cc3ccno3)no2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O4S/c1-12-2-3-13(19-22-18(23-28-19)11-15-8-9-21-27-15)10-17(12)24-29(25,26)16-6-4-14(20)5-7-16/h2-10,24H,11H2,1H3
InChIKeyBDOFPDYRKVPLFA-UHFFFAOYSA-N
XLogP3.56
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methyl-5-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-methyl-5-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide (CID 166213122) is 4-fluoro-N-[2-methyl-5-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-methyl-5-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-methyl-5-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide is Cc1ccc(-c2nc(Cc3ccno3)no2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-methyl-5-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide?
The InChIKey is BDOFPDYRKVPLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4S/c1-12-2-3-13(19-22-18(23-28-19)11-15-8-9-21-27-15)10-17(12)24-29(25,26)16-6-4-14(20)5-7-16/h2-10,24H,11H2,1H3.
What are the key properties of 4-fluoro-N-[2-methyl-5-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide?
4-fluoro-N-[2-methyl-5-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide has a molecular weight of 414.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-methyl-5-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 166213122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).