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

C22H21Cl2N3O4S — CID 24608161

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H21Cl2N3O4S/c23-16-5-7-17(8-6-16)32(29,30)27-13-11-26(12-14-27)22(28)10-9-21-25-15-20(31-21)18-3-1-2-4-19(18)24/h1-8,15H,9-14H2
InChIKeyPUDGJYUOSDJTDG-UHFFFAOYSA-N
MW494.40 g/mol
LogP4.11
Rot. Bonds6

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

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 24608161) has the molecular formula C22H21Cl2N3O4S and a molecular weight of 494.40 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID24608161
Molecular FormulaC22H21Cl2N3O4S
Molecular Weight494.40 g/mol
Exact Mass493.06
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H21Cl2N3O4S/c23-16-5-7-17(8-6-16)32(29,30)27-13-11-26(12-14-27)22(28)10-9-21-25-15-20(31-21)18-3-1-2-4-19(18)24/h1-8,15H,9-14H2
InChIKeyPUDGJYUOSDJTDG-UHFFFAOYSA-N
XLogP4.11
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 16596687
1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 32648784
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119543119
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 41331628
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 134011469
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-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 26064309
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488208
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 26082227
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55863531
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 30889557
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 78835841

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 24608161) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one is O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is PUDGJYUOSDJTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O4S/c23-16-5-7-17(8-6-16)32(29,30)27-13-11-26(12-14-27)22(28)10-9-21-25-15-20(31-21)18-3-1-2-4-19(18)24/h1-8,15H,9-14H2.
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 494.40 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 24608161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).