[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone

C18H16ClN3O5S — CID 24665275

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H16ClN3O5S/c19-13-3-5-14(6-4-13)28(24,25)22-9-7-21(8-10-22)18(23)15-12-17(27-20-15)16-2-1-11-26-16/h1-6,11-12H,7-10H2
InChIKeyHBKUBAMWMRLBOM-UHFFFAOYSA-N
MW421.86 g/mol
LogP2.73
Rot. Bonds4

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

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (PubChem CID 24665275) has the molecular formula C18H16ClN3O5S and a molecular weight of 421.86 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
PubChem CID24665275
Molecular FormulaC18H16ClN3O5S
Molecular Weight421.86 g/mol
Exact Mass421.05
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H16ClN3O5S/c19-13-3-5-14(6-4-13)28(24,25)22-9-7-21(8-10-22)18(23)15-12-17(27-20-15)16-2-1-11-26-16/h1-6,11-12H,7-10H2
InChIKeyHBKUBAMWMRLBOM-UHFFFAOYSA-N
XLogP2.73
TPSA96.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 90594863
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 55646198
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 34182939
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334322
(5-phenyl-1,2-oxazol-3-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 46649465
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51154217
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584589
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 90584854
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844718
1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone
CID 110328710

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (CID 24665275) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone is O=C(c1cc(-c2ccco2)on1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The InChIKey is HBKUBAMWMRLBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O5S/c19-13-3-5-14(6-4-13)28(24,25)22-9-7-21(8-10-22)18(23)15-12-17(27-20-15)16-2-1-11-26-16/h1-6,11-12H,7-10H2.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone has a molecular weight of 421.86 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24665275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).