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

C21H20FN3O2 — CID 91918651

IUPAC(3-fluorophenyl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C21H20FN3O2/c22-18-10-4-9-17(13-18)21(26)25-11-5-6-15(14-25)12-19-23-20(27-24-19)16-7-2-1-3-8-16/h1-4,7-10,13,15H,5-6,11-12,14H2
InChIKeyFIAAKXSKUKMDOR-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.97
Rot. Bonds4

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

(3-fluorophenyl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91918651) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is (3-fluorophenyl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID91918651
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name(3-fluorophenyl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCCC(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C21H20FN3O2/c22-18-10-4-9-17(13-18)21(26)25-11-5-6-15(14-25)12-19-23-20(27-24-19)16-7-2-1-3-8-16/h1-4,7-10,13,15H,5-6,11-12,14H2
InChIKeyFIAAKXSKUKMDOR-UHFFFAOYSA-N
XLogP3.97
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone (CID 91918651) is (3-fluorophenyl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCCC(Cc2noc(-c3ccccc3)n2)C1.
What is the InChIKey of (3-fluorophenyl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is FIAAKXSKUKMDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-18-10-4-9-17(13-18)21(26)25-11-5-6-15(14-25)12-19-23-20(27-24-19)16-7-2-1-3-8-16/h1-4,7-10,13,15H,5-6,11-12,14H2.
What are the key properties of (3-fluorophenyl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone?
(3-fluorophenyl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 365.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91918651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).