(3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C21H20FN3O2 — CID 50835025

IUPAC(3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(c3nnc(-c4ccccc4)o3)C2)cc1F
InChIInChI=1S/C21H20FN3O2/c1-14-9-10-16(12-18(14)22)21(26)25-11-5-8-17(13-25)20-24-23-19(27-20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3
InChIKeyZZGAUVNQPPEIFV-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.20
Rot. Bonds3

About (3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

(3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 50835025) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID50835025
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name(3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(c3nnc(-c4ccccc4)o3)C2)cc1F
InChIInChI=1S/C21H20FN3O2/c1-14-9-10-16(12-18(14)22)21(26)25-11-5-8-17(13-25)20-24-23-19(27-20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3
InChIKeyZZGAUVNQPPEIFV-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 50835025) is (3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCC(c3nnc(-c4ccccc4)o3)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ZZGAUVNQPPEIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14-9-10-16(12-18(14)22)21(26)25-11-5-8-17(13-25)20-24-23-19(27-20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 365.41 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 50835025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).