(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate

C17H14N2O4S — CID 8741850

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCc2cc(-c3cccs3)on2)c1
InChIInChI=1S/C17H14N2O4S/c1-11(20)18-13-5-2-4-12(8-13)17(21)22-10-14-9-15(23-19-14)16-6-3-7-24-16/h2-9H,10H2,1H3,(H,18,20)
InChIKeyRCMIUQJPUJYOPF-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.72
Rot. Bonds5

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate (PubChem CID 8741850) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate
PubChem CID8741850
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCc2cc(-c3cccs3)on2)c1
InChIInChI=1S/C17H14N2O4S/c1-11(20)18-13-5-2-4-12(8-13)17(21)22-10-14-9-15(23-19-14)16-6-3-7-24-16/h2-9H,10H2,1H3,(H,18,20)
InChIKeyRCMIUQJPUJYOPF-UHFFFAOYSA-N
XLogP3.72
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate
CID 16870177
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(ethylsulfamoyl)benzoate
CID 30767092
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate
CID 8751669
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-bromo-3-nitrobenzoate
CID 26780410
N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253076
(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate
CID 18099607
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 8743810
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethylbenzoate
CID 8650258
(5-methyl-1,2-oxazol-3-yl)methyl 3-(ethoxycarbonylamino)benzoate
CID 17418197
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methylbenzoate
CID 8845331
ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate
CID 16879520

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate (CID 8741850) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)OCc2cc(-c3cccs3)on2)c1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate?
The InChIKey is RCMIUQJPUJYOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-11(20)18-13-5-2-4-12(8-13)17(21)22-10-14-9-15(23-19-14)16-6-3-7-24-16/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate has a molecular weight of 342.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate is sourced from PubChem (CID 8741850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).