1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C21H20N4O5 — CID 55557843

IUPAC1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1cccc(N2CC(C(=O)OC(C)c3nc(-c4cccnc4)no3)CC2=O)c1
InChIInChI=1S/C21H20N4O5/c1-13(20-23-19(24-30-20)14-5-4-8-22-11-14)29-21(27)15-9-18(26)25(12-15)16-6-3-7-17(10-16)28-2/h3-8,10-11,13,15H,9,12H2,1-2H3
InChIKeyHKGWOWZTMCEARQ-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.80
Rot. Bonds6

About 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 55557843) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID55557843
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1cccc(N2CC(C(=O)OC(C)c3nc(-c4cccnc4)no3)CC2=O)c1
InChIInChI=1S/C21H20N4O5/c1-13(20-23-19(24-30-20)14-5-4-8-22-11-14)29-21(27)15-9-18(26)25(12-15)16-6-3-7-17(10-16)28-2/h3-8,10-11,13,15H,9,12H2,1-2H3
InChIKeyHKGWOWZTMCEARQ-UHFFFAOYSA-N
XLogP2.80
TPSA107.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl] 2,6-dimethoxybenzoate
CID 52562351
(4R)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 92746626
(4S)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 92746625
1-(2,5-difluorophenyl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 55909391
methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
CID 50873886
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55939073
(4S)-1-(3-methoxyphenyl)-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29136650
(3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7371797
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 55546414
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,2-diphenylacetate
CID 46688129
(2-chlorophenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056891
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 55558286

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 55557843) is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is COc1cccc(N2CC(C(=O)OC(C)c3nc(-c4cccnc4)no3)CC2=O)c1.
What is the InChIKey of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is HKGWOWZTMCEARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-13(20-23-19(24-30-20)14-5-4-8-22-11-14)29-21(27)15-9-18(26)25(12-15)16-6-3-7-17(10-16)28-2/h3-8,10-11,13,15H,9,12H2,1-2H3.
What are the key properties of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 408.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 55557843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).