(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethoxybenzoate

C17H15NO5S — CID 8649823

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(-c3cccs3)on2)c(OC)c1
InChIInChI=1S/C17H15NO5S/c1-20-12-5-6-13(14(9-12)21-2)17(19)22-10-11-8-15(23-18-11)16-4-3-7-24-16/h3-9H,10H2,1-2H3
InChIKeyRYIGMXUKFLNYMX-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.78
Rot. Bonds6

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethoxybenzoate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethoxybenzoate (PubChem CID 8649823) 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 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethoxybenzoate
PubChem CID8649823
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(-c3cccs3)on2)c(OC)c1
InChIInChI=1S/C17H15NO5S/c1-20-12-5-6-13(14(9-12)21-2)17(19)22-10-11-8-15(23-18-11)16-4-3-7-24-16/h3-9H,10H2,1-2H3
InChIKeyRYIGMXUKFLNYMX-UHFFFAOYSA-N
XLogP3.78
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.78
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 2,4-dimethoxybenzoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethoxybenzoate (CID 8649823) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethoxybenzoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethoxybenzoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethoxybenzoate is COc1ccc(C(=O)OCc2cc(-c3cccs3)on2)c(OC)c1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethoxybenzoate?
The InChIKey is RYIGMXUKFLNYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c1-20-12-5-6-13(14(9-12)21-2)17(19)22-10-11-8-15(23-18-11)16-4-3-7-24-16/h3-9H,10H2,1-2H3.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethoxybenzoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethoxybenzoate has a molecular weight of 345.38 g/mol, XLogP of 3.78, 6 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 2,4-dimethoxybenzoate is sourced from PubChem (CID 8649823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).