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

C21H17N3O3S — CID 1292295

IUPAC2-(4-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cccs4)n3)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c1-26-17-10-4-14(5-11-17)13-19(25)22-16-8-6-15(7-9-16)20-23-21(27-24-20)18-3-2-12-28-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyOJNFLQLLCMPOGQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.65
Rot. Bonds6

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

2-(4-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide (PubChem CID 1292295) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
PubChem CID1292295
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name2-(4-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cccs4)n3)cc2)cc1
InChIInChI=1S/C21H17N3O3S/c1-26-17-10-4-14(5-11-17)13-19(25)22-16-8-6-15(7-9-16)20-23-21(27-24-20)18-3-2-12-28-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyOJNFLQLLCMPOGQ-UHFFFAOYSA-N
XLogP4.65
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-{5-[(4-propylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)thiophene-2-carboxamide
CID 4625323
3-[2-Methoxy-6-(4-methoxyphenyl)-3-pyridyl]-5-(2-thienyl)-1,2,4-oxadiazole
CID 664482
2-Methoxy-6-phenyl-3-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 913801
N-(4-{5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}phenyl)thiophene-2-carboxamide
CID 4625326
N-hydroxy-4-[[2-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methyl]benzamide
CID 135358405
N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 1271521
N-{4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-thiophenecarboxamide
CID 1291552
N~2~-[4-(5-Phenethyl-1,2,4-oxadiazol-3-YL)phenyl]-2-thiophenecarboxamide
CID 1292624
N-{4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-thiophenecarboxamide
CID 2202433
2-({[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 2227784
2-(4-methoxyphenyl)-N-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}acetamide
CID 3238986
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 1291767

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide (CID 1292295) is 2-(4-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cccs4)n3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The InChIKey is OJNFLQLLCMPOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-26-17-10-4-14(5-11-17)13-19(25)22-16-8-6-15(7-9-16)20-23-21(27-24-20)18-3-2-12-28-18/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
2-(4-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide has a molecular weight of 391.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 1292295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).