1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C22H22N4O4 — CID 60555884

IUPAC1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)Nc2cc(-c3nnco3)ccc2C)CC1=O
InChIInChI=1S/C22H22N4O4/c1-3-29-19-7-5-4-6-18(19)26-12-16(11-20(26)27)21(28)24-17-10-15(9-8-14(17)2)22-25-23-13-30-22/h4-10,13,16H,3,11-12H2,1-2H3,(H,24,28)
InChIKeyRQDDPULBQXUVIK-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.44
Rot. Bonds6

About 1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 60555884) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID60555884
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)Nc2cc(-c3nnco3)ccc2C)CC1=O
InChIInChI=1S/C22H22N4O4/c1-3-29-19-7-5-4-6-18(19)26-12-16(11-20(26)27)21(28)24-17-10-15(9-8-14(17)2)22-25-23-13-30-22/h4-10,13,16H,3,11-12H2,1-2H3,(H,24,28)
InChIKeyRQDDPULBQXUVIK-UHFFFAOYSA-N
XLogP3.44
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethoxyphenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 86928018
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
(3S)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2684734
(3R)-N-(2,3-dimethylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2599596
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885855
1-(5-chloro-2-methylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187635
(3R)-N-(3-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456585
(3R)-N-(2,5-difluorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40942309
1-(2,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160103
1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43008551
(3R)-1-(2-ethoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26087224

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 60555884) is 1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)Nc2cc(-c3nnco3)ccc2C)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RQDDPULBQXUVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-3-29-19-7-5-4-6-18(19)26-12-16(11-20(26)27)21(28)24-17-10-15(9-8-14(17)2)22-25-23-13-30-22/h4-10,13,16H,3,11-12H2,1-2H3,(H,24,28).
What are the key properties of 1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 60555884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).