4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide

C22H17FN2O3S — CID 18701478

IUPAC4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(Cc3ccccc3)oc2-c2ccccc2F)cc1
InChIInChI=1S/C22H17FN2O3S/c23-19-9-5-4-8-18(19)22-21(16-10-12-17(13-11-16)29(24,26)27)25-20(28-22)14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,24,26,27)
InChIKeyOOCLBIAGZWCREL-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.39
Rot. Bonds5

About 4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide

4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 18701478) has the molecular formula C22H17FN2O3S and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID18701478
Molecular FormulaC22H17FN2O3S
Molecular Weight408.45 g/mol
Exact Mass408.09
IUPAC Name4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(Cc3ccccc3)oc2-c2ccccc2F)cc1
InChIInChI=1S/C22H17FN2O3S/c23-19-9-5-4-8-18(19)22-21(16-10-12-17(13-11-16)29(24,26)27)25-20(28-22)14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,24,26,27)
InChIKeyOOCLBIAGZWCREL-UHFFFAOYSA-N
XLogP4.39
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701480
4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701883
4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701848
2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 67625216
4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701737
4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701527
2-[2-benzyl-4-(3,5-dimethylphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 67625035
4-[4-(4-fluorophenyl)-2-[(3-methoxyphenyl)methyl]-1,3-oxazol-5-yl]benzenesulfonamide;4-[4-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-oxazol-5-yl]benzenesulfonamide
CID 67751428
2-benzyl-5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701865
2-benzyl-5-(2-chloro-4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701749
3-[4-[[4-phenyl-5-(2-sulfamoylphenyl)-1,3-oxazol-2-yl]methyl]phenyl]propanoic acid
CID 67771808
4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701723

Frequently Asked Questions

What is the IUPAC name of 4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide (CID 18701478) is 4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nc(Cc3ccccc3)oc2-c2ccccc2F)cc1.
What is the InChIKey of 4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is OOCLBIAGZWCREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3S/c23-19-9-5-4-8-18(19)22-21(16-10-12-17(13-11-16)29(24,26)27)25-20(28-22)14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,24,26,27).
What are the key properties of 4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 408.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 18701478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).