4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one

C21H24N4O4 — CID 90564590

IUPAC4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(C(=O)N3CCCC3c3nc(C4CC4)no3)CC2=O)c1
InChIInChI=1S/C21H24N4O4/c1-28-16-5-2-4-15(11-16)25-12-14(10-18(25)26)21(27)24-9-3-6-17(24)20-22-19(23-29-20)13-7-8-13/h2,4-5,11,13-14,17H,3,6-10,12H2,1H3
InChIKeyGVEBGDRRRHCENX-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.67
Rot. Bonds5

About 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one

4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one (PubChem CID 90564590) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
PubChem CID90564590
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(C(=O)N3CCCC3c3nc(C4CC4)no3)CC2=O)c1
InChIInChI=1S/C21H24N4O4/c1-28-16-5-2-4-15(11-16)25-12-14(10-18(25)26)21(27)24-9-3-6-17(24)20-22-19(23-29-20)13-7-8-13/h2,4-5,11,13-14,17H,3,6-10,12H2,1H3
InChIKeyGVEBGDRRRHCENX-UHFFFAOYSA-N
XLogP2.67
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 90564592
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
(4R)-1-(3,4-dimethylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95116486
4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121092639
(4R)-1-(4-methylphenyl)-4-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95116491
4-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 71783653
4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 46957915
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 90564704
(4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92896437
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 90564532
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one (CID 90564590) is 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one is COc1cccc(N2CC(C(=O)N3CCCC3c3nc(C4CC4)no3)CC2=O)c1.
What is the InChIKey of 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is GVEBGDRRRHCENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-28-16-5-2-4-15(11-16)25-12-14(10-18(25)26)21(27)24-9-3-6-17(24)20-22-19(23-29-20)13-7-8-13/h2,4-5,11,13-14,17H,3,6-10,12H2,1H3.
What are the key properties of 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 396.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 90564590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).