N-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

C20H20N4O4S — CID 53039303

IUPACN-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1-c1noc(C2CCCN2C(=O)CNC(=O)c2cccs2)n1
InChIInChI=1S/C20H20N4O4S/c1-27-15-8-3-2-6-13(15)18-22-20(28-23-18)14-7-4-10-24(14)17(25)12-21-19(26)16-9-5-11-29-16/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,21,26)
InChIKeyCHVKQJGKYWMHLX-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.90
Rot. Bonds6

About N-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 53039303) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID53039303
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccccc1-c1noc(C2CCCN2C(=O)CNC(=O)c2cccs2)n1
InChIInChI=1S/C20H20N4O4S/c1-27-15-8-3-2-6-13(15)18-22-20(28-23-18)14-7-4-10-24(14)17(25)12-21-19(26)16-9-5-11-29-16/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,21,26)
InChIKeyCHVKQJGKYWMHLX-UHFFFAOYSA-N
XLogP2.90
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-Methoxyphenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
CID 1870209
N-[(2R)-1-[4-[3-[3-fluoro-4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 44373693
N-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 44373835
{3-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-thiophen-2-yl-methanone
CID 646922
N-isopropyl-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-thiophenecarboxamide
CID 1258041
N-[2-(2-methoxyphenyl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 1506857
1-(2-Methoxybenzyl)-4-{[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 16190938
1-(2-Thienylcarbonyl)-4-{[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 24817723
N-[(2R)-1-[4-[3-[3-fluoro-4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 44373686
N-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-3-carboxamide
CID 44373712
N-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 162664557
1-(furan-2-yl)-N,N-dimethyl-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine
CID 47014017

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (CID 53039303) is N-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is COc1ccccc1-c1noc(C2CCCN2C(=O)CNC(=O)c2cccs2)n1.
What is the InChIKey of N-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is CHVKQJGKYWMHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-27-15-8-3-2-6-13(15)18-22-20(28-23-18)14-7-4-10-24(14)17(25)12-21-19(26)16-9-5-11-29-16/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,21,26).
What are the key properties of N-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 53039303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).