1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one

C23H23ClFN3O4S — CID 32648784

IUPAC1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
SMILESCc1ccc(-c2cnc(CCC(=O)N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)o2)cc1
InChIInChI=1S/C23H23ClFN3O4S/c1-16-2-4-17(5-3-16)21-15-26-22(32-21)8-9-23(29)27-10-12-28(13-11-27)33(30,31)18-6-7-20(25)19(24)14-18/h2-7,14-15H,8-13H2,1H3
InChIKeyCNMHOQRRGLCLQF-UHFFFAOYSA-N
MW491.97 g/mol
LogP3.91
Rot. Bonds6

About 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one

1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one (PubChem CID 32648784) has the molecular formula C23H23ClFN3O4S and a molecular weight of 491.97 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
PubChem CID32648784
Molecular FormulaC23H23ClFN3O4S
Molecular Weight491.97 g/mol
Exact Mass491.11
IUPAC Name1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
SMILESCc1ccc(-c2cnc(CCC(=O)N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)o2)cc1
InChIInChI=1S/C23H23ClFN3O4S/c1-16-2-4-17(5-3-16)21-15-26-22(32-21)8-9-23(29)27-10-12-28(13-11-27)33(30,31)18-6-7-20(25)19(24)14-18/h2-7,14-15H,8-13H2,1H3
InChIKeyCNMHOQRRGLCLQF-UHFFFAOYSA-N
XLogP3.91
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.97
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 41331628
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55863531
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 26082227
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 26064309
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 55486650
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 24608161
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 16596845
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 41248921
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 55498471
1-(1,4-diazepan-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119414024
1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 43054208
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 16594239

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?
The IUPAC name of 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one (CID 32648784) is 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one is Cc1ccc(-c2cnc(CCC(=O)N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)o2)cc1.
What is the InChIKey of 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?
The InChIKey is CNMHOQRRGLCLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O4S/c1-16-2-4-17(5-3-16)21-15-26-22(32-21)8-9-23(29)27-10-12-28(13-11-27)33(30,31)18-6-7-20(25)19(24)14-18/h2-7,14-15H,8-13H2,1H3.
What are the key properties of 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one?
1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one has a molecular weight of 491.97 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one is sourced from PubChem (CID 32648784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).