[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate

C16H11F2NO3S — CID 27555356

IUPAC[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate
SMILESO=C(Cc1cccs1)OCc1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C16H11F2NO3S/c17-10-3-4-13(14(18)6-10)15-7-11(19-22-15)9-21-16(20)8-12-2-1-5-23-12/h1-7H,8-9H2
InChIKeyXCQSHCGTOYMHOX-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.97
Rot. Bonds5

About [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate

[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate (PubChem CID 27555356) has the molecular formula C16H11F2NO3S and a molecular weight of 335.33 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate
PubChem CID27555356
Molecular FormulaC16H11F2NO3S
Molecular Weight335.33 g/mol
Exact Mass335.04
IUPAC Name[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate
SMILESO=C(Cc1cccs1)OCc1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C16H11F2NO3S/c17-10-3-4-13(14(18)6-10)15-7-11(19-22-15)9-21-16(20)8-12-2-1-5-23-12/h1-7H,8-9H2
InChIKeyXCQSHCGTOYMHOX-UHFFFAOYSA-N
XLogP3.97
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate?
The IUPAC name of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate (CID 27555356) is [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate.
What is the SMILES notation for [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate?
The canonical SMILES for [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate is O=C(Cc1cccs1)OCc1cc(-c2ccc(F)cc2F)on1.
What is the InChIKey of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate?
The InChIKey is XCQSHCGTOYMHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO3S/c17-10-3-4-13(14(18)6-10)15-7-11(19-22-15)9-21-16(20)8-12-2-1-5-23-12/h1-7H,8-9H2.
What are the key properties of [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate?
[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate has a molecular weight of 335.33 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]methyl 2-thiophen-2-ylacetate is sourced from PubChem (CID 27555356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).