5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole

C14H20N4O3 — CID 155957036

IUPAC5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCON1CCC(Cc2nc(Cc3conc3C)no2)CC1
InChIInChI=1S/C14H20N4O3/c1-10-12(9-20-16-10)8-13-15-14(21-17-13)7-11-3-5-18(19-2)6-4-11/h9,11H,3-8H2,1-2H3
InChIKeyVQUCZYYWWKREBM-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.77
Rot. Bonds5

About 5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole

5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 155957036) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID155957036
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCON1CCC(Cc2nc(Cc3conc3C)no2)CC1
InChIInChI=1S/C14H20N4O3/c1-10-12(9-20-16-10)8-13-15-14(21-17-13)7-11-3-5-18(19-2)6-4-11/h9,11H,3-8H2,1-2H3
InChIKeyVQUCZYYWWKREBM-UHFFFAOYSA-N
XLogP1.77
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole (CID 155957036) is 5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole is CON1CCC(Cc2nc(Cc3conc3C)no2)CC1.
What is the InChIKey of 5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is VQUCZYYWWKREBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-10-12(9-20-16-10)8-13-15-14(21-17-13)7-11-3-5-18(19-2)6-4-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 292.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxypiperidin-4-yl)methyl]-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155957036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).