[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone

C23H24FN3O2 — CID 50831416

IUPAC[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(c3noc(-c4cccc(F)c4)n3)CC2)cc1
InChIInChI=1S/C23H24FN3O2/c1-15(2)16-6-8-18(9-7-16)23(28)27-12-10-17(11-13-27)21-25-22(29-26-21)19-4-3-5-20(24)14-19/h3-9,14-15,17H,10-13H2,1-2H3
InChIKeyDMIJXAGQLAERAX-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.02
Rot. Bonds4

About [4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone

[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 50831416) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is [4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID50831416
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(c3noc(-c4cccc(F)c4)n3)CC2)cc1
InChIInChI=1S/C23H24FN3O2/c1-15(2)16-6-8-18(9-7-16)23(28)27-12-10-17(11-13-27)21-25-22(29-26-21)19-4-3-5-20(24)14-19/h3-9,14-15,17H,10-13H2,1-2H3
InChIKeyDMIJXAGQLAERAX-UHFFFAOYSA-N
XLogP5.02
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone (CID 50831416) is [4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCC(c3noc(-c4cccc(F)c4)n3)CC2)cc1.
What is the InChIKey of [4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is DMIJXAGQLAERAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-15(2)16-6-8-18(9-7-16)23(28)27-12-10-17(11-13-27)21-25-22(29-26-21)19-4-3-5-20(24)14-19/h3-9,14-15,17H,10-13H2,1-2H3.
What are the key properties of [4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 393.46 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 50831416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).