5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole

C20H20FN3O — CID 56910094

IUPAC5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole
SMILESFc1ccc(C2CCCCN2Cc2cc(-c3ccccn3)no2)cc1
InChIInChI=1S/C20H20FN3O/c21-16-9-7-15(8-10-16)20-6-2-4-12-24(20)14-17-13-19(23-25-17)18-5-1-3-11-22-18/h1,3,5,7-11,13,20H,2,4,6,12,14H2
InChIKeyNGOYLEMZDXFGAT-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.60
Rot. Bonds4

About 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole

5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole (PubChem CID 56910094) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole
PubChem CID56910094
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole
SMILESFc1ccc(C2CCCCN2Cc2cc(-c3ccccn3)no2)cc1
InChIInChI=1S/C20H20FN3O/c21-16-9-7-15(8-10-16)20-6-2-4-12-24(20)14-17-13-19(23-25-17)18-5-1-3-11-22-18/h1,3,5,7-11,13,20H,2,4,6,12,14H2
InChIKeyNGOYLEMZDXFGAT-UHFFFAOYSA-N
XLogP4.60
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole?
The IUPAC name of 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole (CID 56910094) is 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole?
The canonical SMILES for 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole is Fc1ccc(C2CCCCN2Cc2cc(-c3ccccn3)no2)cc1.
What is the InChIKey of 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole?
The InChIKey is NGOYLEMZDXFGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-16-9-7-15(8-10-16)20-6-2-4-12-24(20)14-17-13-19(23-25-17)18-5-1-3-11-22-18/h1,3,5,7-11,13,20H,2,4,6,12,14H2.
What are the key properties of 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole?
5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole has a molecular weight of 337.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-pyridin-2-yl-1,2-oxazole is sourced from PubChem (CID 56910094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).