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

C21H17N3O3S — CID 4625330

IUPAC2-(2-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1
InChIInChI=1S/C21H17N3O3S/c1-26-17-6-3-2-5-15(17)13-19(25)22-16-10-8-14(9-11-16)20-23-21(27-24-20)18-7-4-12-28-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyABSFELDTTNHOFD-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.65
Rot. Bonds6

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

2-(2-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide (PubChem CID 4625330) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
PubChem CID4625330
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name2-(2-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1
InChIInChI=1S/C21H17N3O3S/c1-26-17-6-3-2-5-15(17)13-19(25)22-16-10-8-14(9-11-16)20-23-21(27-24-20)18-7-4-12-28-18/h2-12H,13H2,1H3,(H,22,25)
InChIKeyABSFELDTTNHOFD-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide (CID 4625330) is 2-(2-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide is COc1ccccc1CC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The InChIKey is ABSFELDTTNHOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-26-17-6-3-2-5-15(17)13-19(25)22-16-10-8-14(9-11-16)20-23-21(27-24-20)18-7-4-12-28-18/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of 2-(2-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
2-(2-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-(2-methoxyphenyl)-N-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 4625330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).