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

C21H20FN3O2 — CID 50828702

IUPAC[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(-c3nc(-c4cccc(F)c4)no3)cc2)CC1
InChIInChI=1S/C21H20FN3O2/c1-14-9-11-25(12-10-14)21(26)16-7-5-15(6-8-16)20-23-19(24-27-20)17-3-2-4-18(22)13-17/h2-8,13-14H,9-12H2,1H3
InChIKeyXBPCRYLOPUMZTM-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.41
Rot. Bonds3

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

[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 50828702) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID50828702
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(-c3nc(-c4cccc(F)c4)no3)cc2)CC1
InChIInChI=1S/C21H20FN3O2/c1-14-9-11-25(12-10-14)21(26)16-7-5-15(6-8-16)20-23-19(24-27-20)17-3-2-4-18(22)13-17/h2-8,13-14H,9-12H2,1H3
InChIKeyXBPCRYLOPUMZTM-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 [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 50828702) is [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(-c3nc(-c4cccc(F)c4)no3)cc2)CC1.
What is the InChIKey of [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is XBPCRYLOPUMZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14-9-11-25(12-10-14)21(26)16-7-5-15(6-8-16)20-23-19(24-27-20)17-3-2-4-18(22)13-17/h2-8,13-14H,9-12H2,1H3.
What are the key properties of [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone?
[4-[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 [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 50828702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).