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

C22H23ClFN3O3S — CID 53084970

IUPAC2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1
InChIInChI=1S/C22H23ClFN3O3S/c1-15-6-7-19(24)13-21(15)31(28,29)27-10-8-26(9-11-27)14-20-16(2)30-22(25-20)17-4-3-5-18(23)12-17/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyHVTUSZRQISOPMR-UHFFFAOYSA-N
MW463.96 g/mol
LogP4.26
Rot. Bonds5

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

2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 53084970) has the molecular formula C22H23ClFN3O3S and a molecular weight of 463.96 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID53084970
Molecular FormulaC22H23ClFN3O3S
Molecular Weight463.96 g/mol
Exact Mass463.11
IUPAC Name2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1
InChIInChI=1S/C22H23ClFN3O3S/c1-15-6-7-19(24)13-21(15)31(28,29)27-10-8-26(9-11-27)14-20-16(2)30-22(25-20)17-4-3-5-18(23)12-17/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyHVTUSZRQISOPMR-UHFFFAOYSA-N
XLogP4.26
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.96
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-4-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084971
4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
CID 53084969
2-(3-chlorophenyl)-4-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084974
4-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
CID 53084878
2-(3-chlorophenyl)-4-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084976
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)-5-methyl-1,3-oxazole
CID 42094310
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461
4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53053502
4-[[4-(3-chlorophenoxy)piperidin-1-yl]methyl]-2-(3-fluorophenyl)-5-methyl-1,3-oxazole
CID 42415863
4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53084876
N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 46364592
1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 3754471

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 53084970) is 2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole is Cc1ccc(F)cc1S(=O)(=O)N1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is HVTUSZRQISOPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O3S/c1-15-6-7-19(24)13-21(15)31(28,29)27-10-8-26(9-11-27)14-20-16(2)30-22(25-20)17-4-3-5-18(23)12-17/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 463.96 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 53084970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).