4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole

C22H23FN2O3S — CID 18824800

IUPAC4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccc(F)cc2)c(N2CCC(C)CC2)o1
InChIInChI=1S/C22H23FN2O3S/c1-15-11-13-25(14-12-15)22-21(29(26,27)18-9-7-17(23)8-10-18)24-20(28-22)19-6-4-3-5-16(19)2/h3-10,15H,11-14H2,1-2H3
InChIKeyZIGVXVMBOSXODD-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.86
Rot. Bonds4

About 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole

4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole (PubChem CID 18824800) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
PubChem CID18824800
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC Name4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCc1ccccc1-c1nc(S(=O)(=O)c2ccc(F)cc2)c(N2CCC(C)CC2)o1
InChIInChI=1S/C22H23FN2O3S/c1-15-11-13-25(14-12-15)22-21(29(26,27)18-9-7-17(23)8-10-18)24-20(28-22)19-6-4-3-5-16(19)2/h3-10,15H,11-14H2,1-2H3
InChIKeyZIGVXVMBOSXODD-UHFFFAOYSA-N
XLogP4.86
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18824802
2-(2-bromophenyl)-4-(4-fluorophenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18889845
2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18826769
5-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazole
CID 18825244
1-[4-(benzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 18825733
4-[2-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
CID 1154472
4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole
CID 18824785
5-(azepan-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 2139834
5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 18826788
4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18824804
4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18890227
4-(4-fluorophenyl)sulfonyl-N-methyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
CID 4825640

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole (CID 18824800) is 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole is Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(F)cc2)c(N2CCC(C)CC2)o1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The InChIKey is ZIGVXVMBOSXODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c1-15-11-13-25(14-12-15)22-21(29(26,27)18-9-7-17(23)8-10-18)24-20(28-22)19-6-4-3-5-16(19)2/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole has a molecular weight of 414.50 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole is sourced from PubChem (CID 18824800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).