2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide

C20H16N2O3S — CID 30850586

IUPAC2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)Cc1cc(-c2cc3ccccc3o2)on1
InChIInChI=1S/C20H16N2O3S/c1-26-19-9-5-3-7-15(19)21-20(23)12-14-11-18(25-22-14)17-10-13-6-2-4-8-16(13)24-17/h2-11H,12H2,1H3,(H,21,23)
InChIKeyKJXKCLVUHSGOQJ-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.99
Rot. Bonds5

About 2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide

2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 30850586) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID30850586
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)Cc1cc(-c2cc3ccccc3o2)on1
InChIInChI=1S/C20H16N2O3S/c1-26-19-9-5-3-7-15(19)21-20(23)12-14-11-18(25-22-14)17-10-13-6-2-4-8-16(13)24-17/h2-11H,12H2,1H3,(H,21,23)
InChIKeyKJXKCLVUHSGOQJ-UHFFFAOYSA-N
XLogP4.99
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(1,2-oxazol-3-yl)acetamide
CID 30850600
N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 30608149
N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878473
N-(2-ethylphenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878811
N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 30608221
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl (2R)-2-phenoxypropanoate
CID 30608484
N-(2-methyl-1,3-benzoxazol-7-yl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110356766
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-oxochromene-3-carboxylate
CID 30608554
methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 30850547
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
CID 154791615
N-(2-methylsulfanylphenyl)-2-[2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899613
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 55358221

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide (CID 30850586) is 2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)Cc1cc(-c2cc3ccccc3o2)on1.
What is the InChIKey of 2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is KJXKCLVUHSGOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-26-19-9-5-3-7-15(19)21-20(23)12-14-11-18(25-22-14)17-10-13-6-2-4-8-16(13)24-17/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of 2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide?
2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 364.43 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 30850586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).