2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole

C24H20FNO4S — CID 18701771

IUPAC2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cc3ccccc3)oc2-c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C24H20FNO4S/c1-29-21-13-10-18(15-20(21)25)23-24(17-8-11-19(12-9-17)31(2,27)28)30-22(26-23)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3
InChIKeyYFRNAXNSIPXKIJ-UHFFFAOYSA-N
MW437.49 g/mol
LogP5.15
Rot. Bonds6

About 2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole

2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole (PubChem CID 18701771) has the molecular formula C24H20FNO4S and a molecular weight of 437.49 g/mol. Its IUPAC name is 2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
PubChem CID18701771
Molecular FormulaC24H20FNO4S
Molecular Weight437.49 g/mol
Exact Mass437.11
IUPAC Name2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cc3ccccc3)oc2-c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C24H20FNO4S/c1-29-21-13-10-18(15-20(21)25)23-24(17-8-11-19(12-9-17)31(2,27)28)30-22(26-23)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3
InChIKeyYFRNAXNSIPXKIJ-UHFFFAOYSA-N
XLogP5.15
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.49
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-5-(3,4-dimethoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701633
2-benzyl-4-(3,5-dimethylphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701558
2-benzyl-5-(3-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701865
2-benzyl-5-(3-chloro-4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701532
4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701737
2-benzyl-4-(2,5-dimethylphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701888
4-(4-methylsulfonylphenyl)-5-phenyl-2-(2-phenylethyl)-1,3-oxazole
CID 18701525
4-[2-benzyl-5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701883
2-benzyl-5-(2-chloro-4-methylphenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701749
4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701480
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
5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole
CID 18701821

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The IUPAC name of 2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole (CID 18701771) is 2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The canonical SMILES for 2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole is COc1ccc(-c2nc(Cc3ccccc3)oc2-c2ccc(S(C)(=O)=O)cc2)cc1F.
What is the InChIKey of 2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The InChIKey is YFRNAXNSIPXKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO4S/c1-29-21-13-10-18(15-20(21)25)23-24(17-8-11-19(12-9-17)31(2,27)28)30-22(26-23)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3.
What are the key properties of 2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole?
2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole has a molecular weight of 437.49 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole is sourced from PubChem (CID 18701771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).