[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

C18H16FN3O4S2 — CID 134011505

IUPAC[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H16FN3O4S2/c19-13-3-1-4-14(11-13)28(24,25)22-8-6-21(7-9-22)18(23)15-12-16(26-20-15)17-5-2-10-27-17/h1-5,10-12H,6-9H2
InChIKeyBAKZAEYFGWNEDV-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.69
Rot. Bonds4

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

[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 134011505) has the molecular formula C18H16FN3O4S2 and a molecular weight of 421.48 g/mol. Its IUPAC name is [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID134011505
Molecular FormulaC18H16FN3O4S2
Molecular Weight421.48 g/mol
Exact Mass421.06
IUPAC Name[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H16FN3O4S2/c19-13-3-1-4-14(11-13)28(24,25)22-8-6-21(7-9-22)18(23)15-12-16(26-20-15)17-5-2-10-27-17/h1-5,10-12H,6-9H2
InChIKeyBAKZAEYFGWNEDV-UHFFFAOYSA-N
XLogP2.69
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-thiophen-2-yl-1,2-oxazol-3-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 55486490
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 55790065
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 9369420
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 60598924
piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 24858712
4-fluoro-N-[1-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 38813023
morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
(5-bromothiophen-2-yl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27828067
furan-3-yl-[4-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 32534308
(2,4-difluorophenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4805726
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 9156672
(5-phenyl-1,2-oxazol-3-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 46649465

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 134011505) is [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2cccs2)on1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is BAKZAEYFGWNEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S2/c19-13-3-1-4-14(11-13)28(24,25)22-8-6-21(7-9-22)18(23)15-12-16(26-20-15)17-5-2-10-27-17/h1-5,10-12H,6-9H2.
What are the key properties of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 421.48 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 134011505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).