N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide

C17H17N3O4S — CID 51128704

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cn2c(-c3cccs3)noc2=O)cc1
InChIInChI=1S/C17H17N3O4S/c1-19(10-12-5-7-13(23-2)8-6-12)15(21)11-20-16(18-24-17(20)22)14-4-3-9-25-14/h3-9H,10-11H2,1-2H3
InChIKeyXJJATSKZSRERDE-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.23
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide

N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 51128704) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID51128704
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cn2c(-c3cccs3)noc2=O)cc1
InChIInChI=1S/C17H17N3O4S/c1-19(10-12-5-7-13(23-2)8-6-12)15(21)11-20-16(18-24-17(20)22)14-4-3-9-25-14/h3-9H,10-11H2,1-2H3
InChIKeyXJJATSKZSRERDE-UHFFFAOYSA-N
XLogP2.23
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47771997
N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772048
4-[[4-(hydroxymethyl)phenyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 110005307
N-[(4-chlorophenyl)methyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772019
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 24551997
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 38136081
N-(4-acetylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 51099628
N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772001
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 24682495
N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772151
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 48730152
4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 51128701

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide (CID 51128704) is N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide is COc1ccc(CN(C)C(=O)Cn2c(-c3cccs3)noc2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is XJJATSKZSRERDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-19(10-12-5-7-13(23-2)8-6-12)15(21)11-20-16(18-24-17(20)22)14-4-3-9-25-14/h3-9H,10-11H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 359.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 51128704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).