N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C20H20N4O3S — CID 53042262

IUPACN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCc1nc(-c2cc(NC(=O)C3CC(=O)N(c4ccccc4)C3)c(C)s2)no1
InChIInChI=1S/C20H20N4O3S/c1-3-17-22-19(23-27-17)16-10-15(12(2)28-16)21-20(26)13-9-18(25)24(11-13)14-7-5-4-6-8-14/h4-8,10,13H,3,9,11H2,1-2H3,(H,21,26)
InChIKeyDAMJQYNBEBMNFW-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.66
Rot. Bonds5

About N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 53042262) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID53042262
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCc1nc(-c2cc(NC(=O)C3CC(=O)N(c4ccccc4)C3)c(C)s2)no1
InChIInChI=1S/C20H20N4O3S/c1-3-17-22-19(23-27-17)16-10-15(12(2)28-16)21-20(26)13-9-18(25)24(11-13)14-7-5-4-6-8-14/h4-8,10,13H,3,9,11H2,1-2H3,(H,21,26)
InChIKeyDAMJQYNBEBMNFW-UHFFFAOYSA-N
XLogP3.66
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92736380
(3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9004445
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46266860
(3R)-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92703513
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 90563374
(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075495
N-(2-chlorophenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321750
5-bromo-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide
CID 53078627
N-(2,3-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042449
N-(2,3-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042052
(3R)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92736436
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 90563376

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 53042262) is N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CCc1nc(-c2cc(NC(=O)C3CC(=O)N(c4ccccc4)C3)c(C)s2)no1.
What is the InChIKey of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is DAMJQYNBEBMNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-3-17-22-19(23-27-17)16-10-15(12(2)28-16)21-20(26)13-9-18(25)24(11-13)14-7-5-4-6-8-14/h4-8,10,13H,3,9,11H2,1-2H3,(H,21,26).
What are the key properties of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 53042262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).