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

C21H20FN3O2 — CID 50828684

IUPAC[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C21H20FN3O2/c1-14-5-2-3-12-25(14)21(26)17-7-4-6-16(13-17)20-23-19(24-27-20)15-8-10-18(22)11-9-15/h4,6-11,13-14H,2-3,5,12H2,1H3
InChIKeySEWVPBDCYXNBNM-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.56
Rot. Bonds3

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

[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 50828684) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2-methylpiperidin-1-yl)methanone
PubChem CID50828684
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C21H20FN3O2/c1-14-5-2-3-12-25(14)21(26)17-7-4-6-16(13-17)20-23-19(24-27-20)15-8-10-18(22)11-9-15/h4,6-11,13-14H,2-3,5,12H2,1H3
InChIKeySEWVPBDCYXNBNM-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2-methylpiperidin-1-yl)methanone (CID 50828684) is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1.
What is the InChIKey of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is SEWVPBDCYXNBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14-5-2-3-12-25(14)21(26)17-7-4-6-16(13-17)20-23-19(24-27-20)15-8-10-18(22)11-9-15/h4,6-11,13-14H,2-3,5,12H2,1H3.
What are the key properties of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2-methylpiperidin-1-yl)methanone?
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 365.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 50828684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).