N-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide

C23H19FN2O4S — CID 67625196

IUPACN-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCOc1cc(F)ccc1-c1nc(Cc2ccccc2)oc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H19FN2O4S/c1-29-20-15-17(24)12-13-19(20)22-23(26-31(27,28)18-10-6-3-7-11-18)30-21(25-22)14-16-8-4-2-5-9-16/h2-13,15,26H,14H2,1H3
InChIKeyBWKIXMCYFOCTQB-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.88
Rot. Bonds7

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

N-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 67625196) has the molecular formula C23H19FN2O4S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID67625196
Molecular FormulaC23H19FN2O4S
Molecular Weight438.48 g/mol
Exact Mass438.10
IUPAC NameN-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCOc1cc(F)ccc1-c1nc(Cc2ccccc2)oc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H19FN2O4S/c1-29-20-15-17(24)12-13-19(20)22-23(26-31(27,28)18-10-6-3-7-11-18)30-21(25-22)14-16-8-4-2-5-9-16/h2-13,15,26H,14H2,1H3
InChIKeyBWKIXMCYFOCTQB-UHFFFAOYSA-N
XLogP4.88
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701771
2-benzyl-5-(3,4-dimethoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701633
2-benzyl-5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701865
4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701737
N-(4-fluoro-2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 71196933
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 70117489
N-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 67623497
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide
CID 110402703
N-[5-(4-chlorophenyl)-3-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580098
N-(benzenesulfonyl)-1-[(2,6-dimethylphenyl)methyl]-3-(4-fluoro-2-methoxyphenyl)pyrazole-5-carboxamide
CID 121253642
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840

Frequently Asked Questions

What is the IUPAC name of N-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 67625196) is N-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide is COc1cc(F)ccc1-c1nc(Cc2ccccc2)oc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is BWKIXMCYFOCTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4S/c1-29-20-15-17(24)12-13-19(20)22-23(26-31(27,28)18-10-6-3-7-11-18)30-21(25-22)14-16-8-4-2-5-9-16/h2-13,15,26H,14H2,1H3.
What are the key properties of N-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
N-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 438.48 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67625196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).