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

C21H26FN3O4S — CID 53168518

IUPAC[2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1oc(C2CCN(S(=O)(=O)c3ccccc3F)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C21H26FN3O4S/c1-15-19(21(26)24-11-5-2-6-12-24)23-20(29-15)16-9-13-25(14-10-16)30(27,28)18-8-4-3-7-17(18)22/h3-4,7-8,16H,2,5-6,9-14H2,1H3
InChIKeyHFTDPGSJVCWVTC-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.32
Rot. Bonds4

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

[2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 53168518) has the molecular formula C21H26FN3O4S and a molecular weight of 435.52 g/mol. Its IUPAC name is [2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
PubChem CID53168518
Molecular FormulaC21H26FN3O4S
Molecular Weight435.52 g/mol
Exact Mass435.16
IUPAC Name[2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1oc(C2CCN(S(=O)(=O)c3ccccc3F)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C21H26FN3O4S/c1-15-19(21(26)24-11-5-2-6-12-24)23-20(29-15)16-9-13-25(14-10-16)30(27,28)18-8-4-3-7-17(18)22/h3-4,7-8,16H,2,5-6,9-14H2,1H3
InChIKeyHFTDPGSJVCWVTC-UHFFFAOYSA-N
XLogP3.32
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone (CID 53168518) is [2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone is Cc1oc(C2CCN(S(=O)(=O)c3ccccc3F)CC2)nc1C(=O)N1CCCCC1.
What is the InChIKey of [2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is HFTDPGSJVCWVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4S/c1-15-19(21(26)24-11-5-2-6-12-24)23-20(29-15)16-9-13-25(14-10-16)30(27,28)18-8-4-3-7-17(18)22/h3-4,7-8,16H,2,5-6,9-14H2,1H3.
What are the key properties of [2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone?
[2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 435.52 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53168518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).