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

C17H14N2O4S — CID 8647313

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C17H14N2O4S/c20-16(10-18-17(21)12-5-2-1-3-6-12)22-11-13-9-14(23-19-13)15-7-4-8-24-15/h1-9H,10-11H2,(H,18,21)
InChIKeyMABJDCSUEYTKMB-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.88
Rot. Bonds6

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

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzamidoacetate (PubChem CID 8647313) 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 2-benzamidoacetate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzamidoacetate
PubChem CID8647313
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C17H14N2O4S/c20-16(10-18-17(21)12-5-2-1-3-6-12)22-11-13-9-14(23-19-13)15-7-4-8-24-15/h1-9H,10-11H2,(H,18,21)
InChIKeyMABJDCSUEYTKMB-UHFFFAOYSA-N
XLogP2.88
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzamidoacetate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzamidoacetate (CID 8647313) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzamidoacetate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzamidoacetate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)OCc1cc(-c2cccs2)on1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzamidoacetate?
The InChIKey is MABJDCSUEYTKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c20-16(10-18-17(21)12-5-2-1-3-6-12)22-11-13-9-14(23-19-13)15-7-4-8-24-15/h1-9H,10-11H2,(H,18,21).
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzamidoacetate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzamidoacetate has a molecular weight of 342.38 g/mol, XLogP of 2.88, 6 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 2-benzamidoacetate is sourced from PubChem (CID 8647313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).