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

C22H22FN3O4S — CID 26064309

IUPAC1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(CCc1ncc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H22FN3O4S/c23-18-7-4-8-19(15-18)31(28,29)26-13-11-25(12-14-26)22(27)10-9-21-24-16-20(30-21)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2
InChIKeyHEAFMPDJUYDKGA-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.95
Rot. Bonds6

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

1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one (PubChem CID 26064309) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
PubChem CID26064309
Molecular FormulaC22H22FN3O4S
Molecular Weight443.50 g/mol
Exact Mass443.13
IUPAC Name1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(CCc1ncc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H22FN3O4S/c23-18-7-4-8-19(15-18)31(28,29)26-13-11-25(12-14-26)22(27)10-9-21-24-16-20(30-21)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2
InChIKeyHEAFMPDJUYDKGA-UHFFFAOYSA-N
XLogP2.95
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-chlorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 41331628
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 8966508
1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 32648784
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 26082227
4-methyl-5-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16623138
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 55486650
1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 43054208
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 4820420
3-(4-ethylphenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9429037
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 24608161
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one?
The IUPAC name of 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one (CID 26064309) is 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one is O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one?
The InChIKey is HEAFMPDJUYDKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c23-18-7-4-8-19(15-18)31(28,29)26-13-11-25(12-14-26)22(27)10-9-21-24-16-20(30-21)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2.
What are the key properties of 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one?
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one has a molecular weight of 443.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one is sourced from PubChem (CID 26064309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).