3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole

C22H25FN2O — CID 13178178

IUPAC3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2CC(CN3CCC(Cc4ccccc4)CC3)=NO2)cc1
InChIInChI=1S/C22H25FN2O/c23-20-8-6-19(7-9-20)22-15-21(24-26-22)16-25-12-10-18(11-13-25)14-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2
InChIKeyYLOANPBHKQOTOK-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.60
Rot. Bonds5

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

3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 13178178) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID13178178
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2CC(CN3CCC(Cc4ccccc4)CC3)=NO2)cc1
InChIInChI=1S/C22H25FN2O/c23-20-8-6-19(7-9-20)22-15-21(24-26-22)16-25-12-10-18(11-13-25)14-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2
InChIKeyYLOANPBHKQOTOK-UHFFFAOYSA-N
XLogP4.60
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole (CID 13178178) is 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole is Fc1ccc(C2CC(CN3CCC(Cc4ccccc4)CC3)=NO2)cc1.
What is the InChIKey of 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is YLOANPBHKQOTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-20-8-6-19(7-9-20)22-15-21(24-26-22)16-25-12-10-18(11-13-25)14-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2.
What are the key properties of 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 352.45 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 13178178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).