(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C17H19N3O5 — CID 24684772

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCOc1ccccc1N1CC(C(=O)OCc2nnc(C)o2)CC1=O
InChIInChI=1S/C17H19N3O5/c1-3-23-14-7-5-4-6-13(14)20-9-12(8-16(20)21)17(22)24-10-15-19-18-11(2)25-15/h4-7,12H,3,8-10H2,1-2H3
InChIKeyCZXLHMDVXCILSI-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.87
Rot. Bonds6

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 24684772) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID24684772
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCOc1ccccc1N1CC(C(=O)OCc2nnc(C)o2)CC1=O
InChIInChI=1S/C17H19N3O5/c1-3-23-14-7-5-4-6-13(14)20-9-12(8-16(20)21)17(22)24-10-15-19-18-11(2)25-15/h4-7,12H,3,8-10H2,1-2H3
InChIKeyCZXLHMDVXCILSI-UHFFFAOYSA-N
XLogP1.87
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7544042
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
(5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7545530
[2-(4-fluorophenyl)-2-oxoethyl] (3R)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004128
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 71897715
(3,4-dimethylphenyl) (3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057540
1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 18886165
[2-(3-methylanilino)-2-oxoethyl] (3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9171387
benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7545638
(4-methylphenyl)methyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7543997
ethyl (3S)-5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077638
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 24684772) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate is CCOc1ccccc1N1CC(C(=O)OCc2nnc(C)o2)CC1=O.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is CZXLHMDVXCILSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-3-23-14-7-5-4-6-13(14)20-9-12(8-16(20)21)17(22)24-10-15-19-18-11(2)25-15/h4-7,12H,3,8-10H2,1-2H3.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 345.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 24684772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).