2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

C18H20N6O2 — CID 156601877

IUPAC2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CC(C)C(c2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C18H20N6O2/c1-12-9-24(16(25)11-23-8-7-20-13(23)2)10-15(12)18-21-17(22-26-18)14-3-5-19-6-4-14/h3-8,12,15H,9-11H2,1-2H3
InChIKeyNAPSYPJXOBQZSN-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.90
Rot. Bonds4

About 2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 156601877) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID156601877
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CC(C)C(c2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C18H20N6O2/c1-12-9-24(16(25)11-23-8-7-20-13(23)2)10-15(12)18-21-17(22-26-18)14-3-5-19-6-4-14/h3-8,12,15H,9-11H2,1-2H3
InChIKeyNAPSYPJXOBQZSN-UHFFFAOYSA-N
XLogP1.90
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 156601559
(3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 87051960
(3R,4R)-N-(3,5-difluorophenyl)-3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 87051969
2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 71686905
5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 156601885
1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 71686901
5-[(3S,4S)-1-cyclopropylsulfonyl-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 87049987
5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 156601859
[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 78149390
(2,6-dimethoxyphenyl)-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87051988
4-ethyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 114512896
6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150079

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (CID 156601877) is 2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is Cc1nccn1CC(=O)N1CC(C)C(c2nc(-c3ccncc3)no2)C1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is NAPSYPJXOBQZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-12-9-24(16(25)11-23-8-7-20-13(23)2)10-15(12)18-21-17(22-26-18)14-3-5-19-6-4-14/h3-8,12,15H,9-11H2,1-2H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 352.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 156601877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).