5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

C16H18N6O — CID 166288472

IUPAC5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc(-c3ccnc(-n4ccnc4)c3)n2)CCNCC1
InChIInChI=1S/C16H18N6O/c1-16(3-6-17-7-4-16)15-20-14(23-21-15)12-2-5-19-13(10-12)22-9-8-18-11-22/h2,5,8-11,17H,3-4,6-7H2,1H3
InChIKeyUWORIAUCGIOZOW-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.96
Rot. Bonds3

About 5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 166288472) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID166288472
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc(-c3ccnc(-n4ccnc4)c3)n2)CCNCC1
InChIInChI=1S/C16H18N6O/c1-16(3-6-17-7-4-16)15-20-14(23-21-15)12-2-5-19-13(10-12)22-9-8-18-11-22/h2,5,8-11,17H,3-4,6-7H2,1H3
InChIKeyUWORIAUCGIOZOW-UHFFFAOYSA-N
XLogP1.96
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 166288472) is 5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is CC1(c2noc(-c3ccnc(-n4ccnc4)c3)n2)CCNCC1.
What is the InChIKey of 5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is UWORIAUCGIOZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-16(3-6-17-7-4-16)15-20-14(23-21-15)12-2-5-19-13(10-12)22-9-8-18-11-22/h2,5,8-11,17H,3-4,6-7H2,1H3.
What are the key properties of 5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 310.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-imidazol-1-yl-4-pyridinyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 166288472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).