2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide

C20H26N4O4 — CID 126816204

IUPAC2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1noc(C2CCCN2C(=O)c2ccccc2OCC)n1
InChIInChI=1S/C20H26N4O4/c1-3-11-21-18(25)13-17-22-19(28-23-17)15-9-7-12-24(15)20(26)14-8-5-6-10-16(14)27-4-2/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3,(H,21,25)
InChIKeyKXKWEZQOYMCHHP-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.51
Rot. Bonds8

About 2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide

2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide (PubChem CID 126816204) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide
PubChem CID126816204
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1noc(C2CCCN2C(=O)c2ccccc2OCC)n1
InChIInChI=1S/C20H26N4O4/c1-3-11-21-18(25)13-17-22-19(28-23-17)15-9-7-12-24(15)20(26)14-8-5-6-10-16(14)27-4-2/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3,(H,21,25)
InChIKeyKXKWEZQOYMCHHP-UHFFFAOYSA-N
XLogP2.51
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-ethoxyphenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 91888643
[2-(difluoromethoxy)phenyl]-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 120865046
(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpyrrolidine-1-carboxamide
CID 95057959
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpyrrolidine-1-carboxamide
CID 53039498
(2-methoxyphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53039319
prop-2-enyl 2-[3-[[9-[[2-(2-methoxycarbonylphenoxy)acetyl]amino]nonanoylamino]methyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
CID 134353595
(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
2-[1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 132779301
2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 129361141
2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 174238017
(2-ethoxyphenyl)-[(2S)-2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92587564
(2S)-N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057927

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide?
The IUPAC name of 2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide (CID 126816204) is 2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide is CCCNC(=O)Cc1noc(C2CCCN2C(=O)c2ccccc2OCC)n1.
What is the InChIKey of 2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide?
The InChIKey is KXKWEZQOYMCHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-3-11-21-18(25)13-17-22-19(28-23-17)15-9-7-12-24(15)20(26)14-8-5-6-10-16(14)27-4-2/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3,(H,21,25).
What are the key properties of 2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide?
2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide has a molecular weight of 386.45 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(2-ethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-propylacetamide is sourced from PubChem (CID 126816204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).