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

C20H20N4O2 — CID 156601559

IUPAC1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
SMILESCC1CN(C(=O)Cc2ccccc2)CC1c1nc(-c2ccncc2)no1
InChIInChI=1S/C20H20N4O2/c1-14-12-24(18(25)11-15-5-3-2-4-6-15)13-17(14)20-22-19(23-26-20)16-7-9-21-10-8-16/h2-10,14,17H,11-13H2,1H3
InChIKeyKSXVMZBGRRKQBI-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.94
Rot. Bonds4

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

1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone (PubChem CID 156601559) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
PubChem CID156601559
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
SMILESCC1CN(C(=O)Cc2ccccc2)CC1c1nc(-c2ccncc2)no1
InChIInChI=1S/C20H20N4O2/c1-14-12-24(18(25)11-15-5-3-2-4-6-15)13-17(14)20-22-19(23-26-20)16-7-9-21-10-8-16/h2-10,14,17H,11-13H2,1H3
InChIKeyKSXVMZBGRRKQBI-UHFFFAOYSA-N
XLogP2.94
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 71686901
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
5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 156601859
2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 71686905
(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
(2,6-dimethoxyphenyl)-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87051988
5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 156601885
[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 78149390
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 87053047
(2,4-difluorophenyl)-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87051982
5-[(3S,4S)-1-cyclopropylsulfonyl-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 87049987

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone (CID 156601559) is 1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone is CC1CN(C(=O)Cc2ccccc2)CC1c1nc(-c2ccncc2)no1.
What is the InChIKey of 1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone?
The InChIKey is KSXVMZBGRRKQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-12-24(18(25)11-15-5-3-2-4-6-15)13-17(14)20-22-19(23-26-20)16-7-9-21-10-8-16/h2-10,14,17H,11-13H2,1H3.
What are the key properties of 1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone?
1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 348.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 156601559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).