5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one

C17H19N5O3 — CID 72922799

IUPAC5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CC(c2nc(-c3ccc4nc[nH]c4c3)no2)CCC1=O
InChIInChI=1S/C17H19N5O3/c1-24-7-6-22-9-12(3-5-15(22)23)17-20-16(21-25-17)11-2-4-13-14(8-11)19-10-18-13/h2,4,8,10,12H,3,5-7,9H2,1H3,(H,18,19)
InChIKeyYFJOWCJPHGIBPM-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.97
Rot. Bonds5

About 5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one

5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one (PubChem CID 72922799) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one
PubChem CID72922799
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CC(c2nc(-c3ccc4nc[nH]c4c3)no2)CCC1=O
InChIInChI=1S/C17H19N5O3/c1-24-7-6-22-9-12(3-5-15(22)23)17-20-16(21-25-17)11-2-4-13-14(8-11)19-10-18-13/h2,4,8,10,12H,3,5-7,9H2,1H3,(H,18,19)
InChIKeyYFJOWCJPHGIBPM-UHFFFAOYSA-N
XLogP1.97
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one with MolForge

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Related Compounds

(5R)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-phenylethyl)piperidin-2-one
CID 97115262
(5S)-5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[(3-fluorophenyl)methyl]piperidin-2-one
CID 97143504
1-[(3R)-3-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methoxyethanone
CID 97435593
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one
CID 72879147
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-propan-2-ylpyrrolidin-2-one
CID 72911459
4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 167780543
3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole
CID 72847122
1-(2-methoxyethyl)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72882973
3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97444360
1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 127869141
(5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97157056
(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 99130341

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one?
The IUPAC name of 5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one (CID 72922799) is 5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one.
What is the SMILES notation for 5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one?
The canonical SMILES for 5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one is COCCN1CC(c2nc(-c3ccc4nc[nH]c4c3)no2)CCC1=O.
What is the InChIKey of 5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one?
The InChIKey is YFJOWCJPHGIBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-24-7-6-22-9-12(3-5-15(22)23)17-20-16(21-25-17)11-2-4-13-14(8-11)19-10-18-13/h2,4,8,10,12H,3,5-7,9H2,1H3,(H,18,19).
What are the key properties of 5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one?
5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one has a molecular weight of 341.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one is sourced from PubChem (CID 72922799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).