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

C20H23F2N3O4S — CID 71837501

IUPAC[2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1oc(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C20H23F2N3O4S/c1-13-18(20(26)24-8-2-3-9-24)23-19(29-13)14-6-10-25(11-7-14)30(27,28)15-4-5-16(21)17(22)12-15/h4-5,12,14H,2-3,6-11H2,1H3
InChIKeyLHCJYFDZAQCWDO-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.07
Rot. Bonds4

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

[2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 71837501) has the molecular formula C20H23F2N3O4S and a molecular weight of 439.48 g/mol. Its IUPAC name is [2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID71837501
Molecular FormulaC20H23F2N3O4S
Molecular Weight439.48 g/mol
Exact Mass439.14
IUPAC Name[2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1oc(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C20H23F2N3O4S/c1-13-18(20(26)24-8-2-3-9-24)23-19(29-13)14-6-10-25(11-7-14)30(27,28)15-4-5-16(21)17(22)12-15/h4-5,12,14H,2-3,6-11H2,1H3
InChIKeyLHCJYFDZAQCWDO-UHFFFAOYSA-N
XLogP3.07
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (CID 71837501) is [2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is Cc1oc(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of [2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LHCJYFDZAQCWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O4S/c1-13-18(20(26)24-8-2-3-9-24)23-19(29-13)14-6-10-25(11-7-14)30(27,28)15-4-5-16(21)17(22)12-15/h4-5,12,14H,2-3,6-11H2,1H3.
What are the key properties of [2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 439.48 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71837501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).