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

C46H38F2N4O8S2 — CID 67751428

IUPAC4-[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
SMILESCOc1ccc(Cc2nc(-c3ccc(F)cc3)c(-c3ccc(S(N)(=O)=O)cc3)o2)cc1.COc1cccc(Cc2nc(-c3ccc(F)cc3)c(-c3ccc(S(N)(=O)=O)cc3)o2)c1
InChIInChI=1S/2C23H19FN2O4S/c1-29-19-10-2-15(3-11-19)14-21-26-22(16-4-8-18(24)9-5-16)23(30-21)17-6-12-20(13-7-17)31(25,27)28;1-29-19-4-2-3-15(13-19)14-21-26-22(16-5-9-18(24)10-6-16)23(30-21)17-7-11-20(12-8-17)31(25,27)28/h2*2-13H,14H2,1H3,(H2,25,27,28)
InChIKeyUIUSTERXYGNPIU-UHFFFAOYSA-N
MW876.96 g/mol
LogP8.79
Rot. Bonds12

About 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

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 (PubChem CID 67751428) has the molecular formula C46H38F2N4O8S2 and a molecular weight of 876.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID67751428
Molecular FormulaC46H38F2N4O8S2
Molecular Weight876.96 g/mol
Exact Mass876.21
IUPAC Name4-[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
SMILESCOc1ccc(Cc2nc(-c3ccc(F)cc3)c(-c3ccc(S(N)(=O)=O)cc3)o2)cc1.COc1cccc(Cc2nc(-c3ccc(F)cc3)c(-c3ccc(S(N)(=O)=O)cc3)o2)c1
InChIInChI=1S/2C23H19FN2O4S/c1-29-19-10-2-15(3-11-19)14-21-26-22(16-4-8-18(24)9-5-16)23(30-21)17-6-12-20(13-7-17)31(25,27)28;1-29-19-4-2-3-15(13-19)14-21-26-22(16-5-9-18(24)10-6-16)23(30-21)17-7-11-20(12-8-17)31(25,27)28/h2*2-13H,14H2,1H3,(H2,25,27,28)
InChIKeyUIUSTERXYGNPIU-UHFFFAOYSA-N
XLogP8.79
TPSA190.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.96
LogP ≤ 58.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701883
4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701737
4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701723
4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701480
N-hydroxy-2-[4-(4-methoxyphenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetamide
CID 22505629
4-[2-benzyl-5-(2-fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701478
4-[2-ethyl-4-(3-fluorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 67621648
2-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]-N-hydroxyacetamide
CID 22505621
2-benzyl-5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701865
2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701771
4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 19698542
5-(4-ethylsulfonylphenyl)-2-[(3-fluorophenoxy)methyl]-4-(4-fluorophenyl)-1,3-oxazole
CID 67751947

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(Cc2nc(-c3ccc(F)cc3)c(-c3ccc(S(N)(=O)=O)cc3)o2)cc1.COc1cccc(Cc2nc(-c3ccc(F)cc3)c(-c3ccc(S(N)(=O)=O)cc3)o2)c1.
What is the InChIKey of 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?
The InChIKey is UIUSTERXYGNPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19FN2O4S/c1-29-19-10-2-15(3-11-19)14-21-26-22(16-4-8-18(24)9-5-16)23(30-21)17-6-12-20(13-7-17)31(25,27)28;1-29-19-4-2-3-15(13-19)14-21-26-22(16-5-9-18(24)10-6-16)23(30-21)17-7-11-20(12-8-17)31(25,27)28/h2*2-13H,14H2,1H3,(H2,25,27,28).
What are the key properties of 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?
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 has a molecular weight of 876.96 g/mol, XLogP of 8.79, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67751428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).