[2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone

C22H28FN3O4S — CID 53168519

IUPAC[2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(c2nc(C(=O)N3CCCCC3)c(C)o2)CC1
InChIInChI=1S/C22H28FN3O4S/c1-15-6-7-18(23)14-19(15)31(28,29)26-12-8-17(9-13-26)21-24-20(16(2)30-21)22(27)25-10-4-3-5-11-25/h6-7,14,17H,3-5,8-13H2,1-2H3
InChIKeyNHSNOFGPWLKDRV-UHFFFAOYSA-N
MW449.55 g/mol
LogP3.62
Rot. Bonds4

About [2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone

[2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 53168519) has the molecular formula C22H28FN3O4S and a molecular weight of 449.55 g/mol. Its IUPAC name is [2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
PubChem CID53168519
Molecular FormulaC22H28FN3O4S
Molecular Weight449.55 g/mol
Exact Mass449.18
IUPAC Name[2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(c2nc(C(=O)N3CCCCC3)c(C)o2)CC1
InChIInChI=1S/C22H28FN3O4S/c1-15-6-7-18(23)14-19(15)31(28,29)26-12-8-17(9-13-26)21-24-20(16(2)30-21)22(27)25-10-4-3-5-11-25/h6-7,14,17H,3-5,8-13H2,1-2H3
InChIKeyNHSNOFGPWLKDRV-UHFFFAOYSA-N
XLogP3.62
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone (CID 53168519) is [2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone is Cc1ccc(F)cc1S(=O)(=O)N1CCC(c2nc(C(=O)N3CCCCC3)c(C)o2)CC1.
What is the InChIKey of [2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is NHSNOFGPWLKDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4S/c1-15-6-7-18(23)14-19(15)31(28,29)26-12-8-17(9-13-26)21-24-20(16(2)30-21)22(27)25-10-4-3-5-11-25/h6-7,14,17H,3-5,8-13H2,1-2H3.
What are the key properties of [2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone?
[2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 449.55 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53168519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).