1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one

C21H22N4O4 — CID 162629624

IUPAC1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one
SMILESCc1noc(C2CCCN2C(=O)c2c(OCc3ccccc3)c(=O)ccn2C)n1
InChIInChI=1S/C21H22N4O4/c1-14-22-20(29-23-14)16-9-6-11-25(16)21(27)18-19(17(26)10-12-24(18)2)28-13-15-7-4-3-5-8-15/h3-5,7-8,10,12,16H,6,9,11,13H2,1-2H3
InChIKeyWZGAQTVJRXMGBO-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.63
Rot. Bonds5

About 1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one

1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one (PubChem CID 162629624) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one
PubChem CID162629624
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one
SMILESCc1noc(C2CCCN2C(=O)c2c(OCc3ccccc3)c(=O)ccn2C)n1
InChIInChI=1S/C21H22N4O4/c1-14-22-20(29-23-14)16-9-6-11-25(16)21(27)18-19(17(26)10-12-24(18)2)28-13-15-7-4-3-5-8-15/h3-5,7-8,10,12,16H,6,9,11,13H2,1-2H3
InChIKeyWZGAQTVJRXMGBO-UHFFFAOYSA-N
XLogP2.63
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 90564298
1-methyl-3-phenylmethoxy-2-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one
CID 162630251
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 90564019
(3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 164691958
5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-2-one
CID 90564221
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 90564159
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 90564067
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90564014
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90564112
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 97105096
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(pyridin-2-ylsulfanylmethyl)phenyl]methanone
CID 131936197
(5-bromopyrimidin-2-yl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 155954695

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one (CID 162629624) is 1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one is Cc1noc(C2CCCN2C(=O)c2c(OCc3ccccc3)c(=O)ccn2C)n1.
What is the InChIKey of 1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one?
The InChIKey is WZGAQTVJRXMGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-14-22-20(29-23-14)16-9-6-11-25(16)21(27)18-19(17(26)10-12-24(18)2)28-13-15-7-4-3-5-8-15/h3-5,7-8,10,12,16H,6,9,11,13H2,1-2H3.
What are the key properties of 1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one?
1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one has a molecular weight of 394.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 162629624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).