[5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone

C16H17F2N3O4S — CID 91949593

IUPAC[5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(F)c(F)c3)on2)CC1
InChIInChI=1S/C16H17F2N3O4S/c1-2-26(23,24)21-7-5-20(6-8-21)16(22)14-10-15(25-19-14)11-3-4-12(17)13(18)9-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyMZXOQLQHLLFJIW-UHFFFAOYSA-N
MW385.39 g/mol
LogP1.73
Rot. Bonds4

About [5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone

[5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone (PubChem CID 91949593) has the molecular formula C16H17F2N3O4S and a molecular weight of 385.39 g/mol. Its IUPAC name is [5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
PubChem CID91949593
Molecular FormulaC16H17F2N3O4S
Molecular Weight385.39 g/mol
Exact Mass385.09
IUPAC Name[5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(F)c(F)c3)on2)CC1
InChIInChI=1S/C16H17F2N3O4S/c1-2-26(23,24)21-7-5-20(6-8-21)16(22)14-10-15(25-19-14)11-3-4-12(17)13(18)9-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyMZXOQLQHLLFJIW-UHFFFAOYSA-N
XLogP1.73
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51154217
(4-benzylsulfonylpiperazin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844842
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38488057
(5-chloro-2-fluorophenyl)-[4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]methanone
CID 55724441
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
CID 144928448
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone
CID 146230214
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844718
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562656
(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 [5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone (CID 91949593) is [5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone is CCS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(F)c(F)c3)on2)CC1.
What is the InChIKey of [5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone?
The InChIKey is MZXOQLQHLLFJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O4S/c1-2-26(23,24)21-7-5-20(6-8-21)16(22)14-10-15(25-19-14)11-3-4-12(17)13(18)9-11/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of [5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone?
[5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone has a molecular weight of 385.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 91949593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).