3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole

C15H18FN3O2 — CID 81261780

IUPAC3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
SMILESCc1cc(F)ccc1-c1noc(COC2CCNCC2)n1
InChIInChI=1S/C15H18FN3O2/c1-10-8-11(16)2-3-13(10)15-18-14(21-19-15)9-20-12-4-6-17-7-5-12/h2-3,8,12,17H,4-7,9H2,1H3
InChIKeyQQGYPCZYUORACH-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.45
Rot. Bonds4

About 3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole

3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 81261780) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
PubChem CID81261780
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
SMILESCc1cc(F)ccc1-c1noc(COC2CCNCC2)n1
InChIInChI=1S/C15H18FN3O2/c1-10-8-11(16)2-3-13(10)15-18-14(21-19-15)9-20-12-4-6-17-7-5-12/h2-3,8,12,17H,4-7,9H2,1H3
InChIKeyQQGYPCZYUORACH-UHFFFAOYSA-N
XLogP2.45
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole (CID 81261780) is 3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole is Cc1cc(F)ccc1-c1noc(COC2CCNCC2)n1.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is QQGYPCZYUORACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10-8-11(16)2-3-13(10)15-18-14(21-19-15)9-20-12-4-6-17-7-5-12/h2-3,8,12,17H,4-7,9H2,1H3.
What are the key properties of 3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole?
3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 291.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 81261780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).