[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C21H19Cl2N3O4S — CID 26204353

IUPAC[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C21H19Cl2N3O4S/c1-14-19(20(24-30-14)15-5-3-2-4-6-15)21(27)25-9-11-26(12-10-25)31(28,29)18-13-16(22)7-8-17(18)23/h2-8,13H,9-12H2,1H3
InChIKeyRYWAQRNMNSMRLU-UHFFFAOYSA-N
MW480.37 g/mol
LogP4.10
Rot. Bonds4

About [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 26204353) has the molecular formula C21H19Cl2N3O4S and a molecular weight of 480.37 g/mol. Its IUPAC name is [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID26204353
Molecular FormulaC21H19Cl2N3O4S
Molecular Weight480.37 g/mol
Exact Mass479.05
IUPAC Name[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C21H19Cl2N3O4S/c1-14-19(20(24-30-14)15-5-3-2-4-6-15)21(27)25-9-11-26(12-10-25)31(28,29)18-13-16(22)7-8-17(18)23/h2-8,13H,9-12H2,1H3
InChIKeyRYWAQRNMNSMRLU-UHFFFAOYSA-N
XLogP4.10
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 4807276
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 5129232
(3,4-difluorophenyl)-[4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]methanone
CID 46413276
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9496675
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4793470
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 38170782
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 55605219
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26263670
[4-(2-chloropent-2-en-3-yl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 123942649
[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 9163498
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844718
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 27364501

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 26204353) is [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is RYWAQRNMNSMRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O4S/c1-14-19(20(24-30-14)15-5-3-2-4-6-15)21(27)25-9-11-26(12-10-25)31(28,29)18-13-16(22)7-8-17(18)23/h2-8,13H,9-12H2,1H3.
What are the key properties of [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 480.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 26204353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).