2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide

C23H19FN2O3S — CID 67625216

IUPAC2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1cccc(F)c1-c1oc(Cc2ccccc2)nc1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C23H19FN2O3S/c1-15-8-7-12-18(24)21(15)23-22(17-11-5-6-13-19(17)30(25,27)28)26-20(29-23)14-16-9-3-2-4-10-16/h2-13H,14H2,1H3,(H2,25,27,28)
InChIKeyRLSPEXKRLQNBMP-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.69
Rot. Bonds5

About 2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide

2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 67625216) has the molecular formula C23H19FN2O3S and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID67625216
Molecular FormulaC23H19FN2O3S
Molecular Weight422.48 g/mol
Exact Mass422.11
IUPAC Name2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1cccc(F)c1-c1oc(Cc2ccccc2)nc1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C23H19FN2O3S/c1-15-8-7-12-18(24)21(15)23-22(17-11-5-6-13-19(17)30(25,27)28)26-20(29-23)14-16-9-3-2-4-10-16/h2-13H,14H2,1H3,(H2,25,27,28)
InChIKeyRLSPEXKRLQNBMP-UHFFFAOYSA-N
XLogP4.69
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tilmacoxib
CID 159271
Benzamide, 3-(((1S)-2-(4,5-diphenyl-2-oxazolyl)-2-cyclohexen-1-yl)methyl)-N-((phenylmethyl)sulfonyl)-
CID 9894720
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]ethanone
CID 5307829
N-(2,5-difluorophenyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 5307965
Benzenesulfonamide,4-(4-cyclohexyl-2-methyl-5-oxazolyl)-
CID 9861888
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-methyl-oxazole
CID 9967345
5-(4-Methanesulfonyl-phenyl)-2-methyl-4-phenyl-oxazole
CID 10041271
4-[4-(4-Fluoro-phenyl)-2-methyl-oxazol-5-yl]-benzenesulfonamide
CID 10936484
2-Fluoro-4-[4-(4-fluoro-phenyl)-2-methyl-oxazol-5-yl]-benzenesulfonamide
CID 11068088
Benzilam
CID 275930
4-(4-Cyclohexyl-2-ethyl-oxazol-5-yl)-2-fluoro-benzenesulfonamide
CID 10937079
4-(4-Cyclohexyl-2-isopropyl-oxazol-5-yl)-2-fluoro-benzenesulfonamide
CID 11003065

Frequently Asked Questions

What is the IUPAC name of 2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide (CID 67625216) is 2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide is Cc1cccc(F)c1-c1oc(Cc2ccccc2)nc1-c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is RLSPEXKRLQNBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3S/c1-15-8-7-12-18(24)21(15)23-22(17-11-5-6-13-19(17)30(25,27)28)26-20(29-23)14-16-9-3-2-4-10-16/h2-13H,14H2,1H3,(H2,25,27,28).
What are the key properties of 2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 422.48 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-benzyl-5-(2-fluoro-6-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 67625216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).