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

C17H15NO5S — CID 16870194

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C17H15NO5S/c1-20-13-5-2-3-6-14(13)21-11-17(19)22-10-12-9-15(23-18-12)16-7-4-8-24-16/h2-9H,10-11H2,1H3
InChIKeySRZOITLMELUXGP-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.53
Rot. Bonds7

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

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate (PubChem CID 16870194) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate
PubChem CID16870194
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C17H15NO5S/c1-20-13-5-2-3-6-14(13)21-11-17(19)22-10-12-9-15(23-18-12)16-7-4-8-24-16/h2-9H,10-11H2,1H3
InChIKeySRZOITLMELUXGP-UHFFFAOYSA-N
XLogP3.53
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate (CID 16870194) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)OCc1cc(-c2cccs2)on1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate?
The InChIKey is SRZOITLMELUXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c1-20-13-5-2-3-6-14(13)21-11-17(19)22-10-12-9-15(23-18-12)16-7-4-8-24-16/h2-9H,10-11H2,1H3.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate has a molecular weight of 345.38 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 16870194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).