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

C17H15NO3S2 — CID 16870203

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzylsulfanylacetate
SMILESO=C(CSCc1ccccc1)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C17H15NO3S2/c19-17(12-22-11-13-5-2-1-3-6-13)20-10-14-9-15(21-18-14)16-7-4-8-23-16/h1-9H,10-12H2
InChIKeyGDPRJVQHZCKRKC-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.38
Rot. Bonds7

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

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzylsulfanylacetate (PubChem CID 16870203) has the molecular formula C17H15NO3S2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzylsulfanylacetate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzylsulfanylacetate
PubChem CID16870203
Molecular FormulaC17H15NO3S2
Molecular Weight345.44 g/mol
Exact Mass345.05
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzylsulfanylacetate
SMILESO=C(CSCc1ccccc1)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C17H15NO3S2/c19-17(12-22-11-13-5-2-1-3-6-13)20-10-14-9-15(21-18-14)16-7-4-8-23-16/h1-9H,10-12H2
InChIKeyGDPRJVQHZCKRKC-UHFFFAOYSA-N
XLogP4.38
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
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-benzylsulfanylacetate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzylsulfanylacetate (CID 16870203) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzylsulfanylacetate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzylsulfanylacetate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzylsulfanylacetate is O=C(CSCc1ccccc1)OCc1cc(-c2cccs2)on1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzylsulfanylacetate?
The InChIKey is GDPRJVQHZCKRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S2/c19-17(12-22-11-13-5-2-1-3-6-13)20-10-14-9-15(21-18-14)16-7-4-8-23-16/h1-9H,10-12H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzylsulfanylacetate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-benzylsulfanylacetate has a molecular weight of 345.44 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 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-benzylsulfanylacetate is sourced from PubChem (CID 16870203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).