4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole

C23H26FN3O3S — CID 53084969

IUPAC4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
SMILESCc1ccccc1-c1nc(CN2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)c(C)o1
InChIInChI=1S/C23H26FN3O3S/c1-16-6-4-5-7-20(16)23-25-21(18(3)30-23)15-26-10-12-27(13-11-26)31(28,29)22-14-19(24)9-8-17(22)2/h4-9,14H,10-13,15H2,1-3H3
InChIKeyIOOXMGPVVLARFK-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.91
Rot. Bonds5

About 4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole

4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole (PubChem CID 53084969) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is 4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
PubChem CID53084969
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC Name4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
SMILESCc1ccccc1-c1nc(CN2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)c(C)o1
InChIInChI=1S/C23H26FN3O3S/c1-16-6-4-5-7-20(16)23-25-21(18(3)30-23)15-26-10-12-27(13-11-26)31(28,29)22-14-19(24)9-8-17(22)2/h4-9,14H,10-13,15H2,1-3H3
InChIKeyIOOXMGPVVLARFK-UHFFFAOYSA-N
XLogP3.91
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole (CID 53084969) is 4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole is Cc1ccccc1-c1nc(CN2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)c(C)o1.
What is the InChIKey of 4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole?
The InChIKey is IOOXMGPVVLARFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c1-16-6-4-5-7-20(16)23-25-21(18(3)30-23)15-26-10-12-27(13-11-26)31(28,29)22-14-19(24)9-8-17(22)2/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of 4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole?
4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole has a molecular weight of 443.54 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 53084969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).