[2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone

C20H24FN3O4S — CID 71837507

IUPAC[2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1oc(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C20H24FN3O4S/c1-14-18(20(25)23-9-2-3-10-23)22-19(28-14)15-7-11-24(12-8-15)29(26,27)17-6-4-5-16(21)13-17/h4-6,13,15H,2-3,7-12H2,1H3
InChIKeyHZWSTLJSIZWVAC-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.93
Rot. Bonds4

About [2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone

[2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 71837507) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is [2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID71837507
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC Name[2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1oc(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C20H24FN3O4S/c1-14-18(20(25)23-9-2-3-10-23)22-19(28-14)15-7-11-24(12-8-15)29(26,27)17-6-4-5-16(21)13-17/h4-6,13,15H,2-3,7-12H2,1H3
InChIKeyHZWSTLJSIZWVAC-UHFFFAOYSA-N
XLogP2.93
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (CID 71837507) is [2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is Cc1oc(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of [2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HZWSTLJSIZWVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-14-18(20(25)23-9-2-3-10-23)22-19(28-14)15-7-11-24(12-8-15)29(26,27)17-6-4-5-16(21)13-17/h4-6,13,15H,2-3,7-12H2,1H3.
What are the key properties of [2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 421.49 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71837507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).