3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole

C15H18FN3O — CID 45179495

IUPAC3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCCCC1c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C15H18FN3O/c1-19-8-3-2-7-13(19)15-17-14(18-20-15)10-11-5-4-6-12(16)9-11/h4-6,9,13H,2-3,7-8,10H2,1H3
InChIKeyCGITZJAXGZHNOL-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.96
Rot. Bonds3

About 3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole

3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 45179495) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID45179495
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCCCC1c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C15H18FN3O/c1-19-8-3-2-7-13(19)15-17-14(18-20-15)10-11-5-4-6-12(16)9-11/h4-6,9,13H,2-3,7-8,10H2,1H3
InChIKeyCGITZJAXGZHNOL-UHFFFAOYSA-N
XLogP2.96
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 45179495) is 3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole is CN1CCCCC1c1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is CGITZJAXGZHNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-19-8-3-2-7-13(19)15-17-14(18-20-15)10-11-5-4-6-12(16)9-11/h4-6,9,13H,2-3,7-8,10H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 275.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-5-(1-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 45179495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).