[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone

C21H20FN3O2 — CID 50828936

IUPAC[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(-c3nc(-c4cccc(F)c4)no3)c2)CC1
InChIInChI=1S/C21H20FN3O2/c1-14-8-10-25(11-9-14)21(26)17-6-2-5-16(12-17)20-23-19(24-27-20)15-4-3-7-18(22)13-15/h2-7,12-14H,8-11H2,1H3
InChIKeyJAESAKLZILVGLS-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.41
Rot. Bonds3

About [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone

[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 50828936) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID50828936
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(-c3nc(-c4cccc(F)c4)no3)c2)CC1
InChIInChI=1S/C21H20FN3O2/c1-14-8-10-25(11-9-14)21(26)17-6-2-5-16(12-17)20-23-19(24-27-20)15-4-3-7-18(22)13-15/h2-7,12-14H,8-11H2,1H3
InChIKeyJAESAKLZILVGLS-UHFFFAOYSA-N
XLogP4.41
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 50828936) is [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccc(-c3nc(-c4cccc(F)c4)no3)c2)CC1.
What is the InChIKey of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is JAESAKLZILVGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14-8-10-25(11-9-14)21(26)17-6-2-5-16(12-17)20-23-19(24-27-20)15-4-3-7-18(22)13-15/h2-7,12-14H,8-11H2,1H3.
What are the key properties of [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 365.41 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 50828936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).