(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-chloro-4-fluorophenoxy)acetate

C16H11ClFNO4S — CID 8941854

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-chloro-4-fluorophenoxy)acetate
SMILESO=C(COc1ccc(F)cc1Cl)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C16H11ClFNO4S/c17-12-6-10(18)3-4-13(12)21-9-16(20)22-8-11-7-14(23-19-11)15-2-1-5-24-15/h1-7H,8-9H2
InChIKeyQRHCDVJDSJHODK-UHFFFAOYSA-N
MW367.79 g/mol
LogP4.32
Rot. Bonds6

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-chloro-4-fluorophenoxy)acetate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-chloro-4-fluorophenoxy)acetate (PubChem CID 8941854) has the molecular formula C16H11ClFNO4S and a molecular weight of 367.79 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-chloro-4-fluorophenoxy)acetate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-chloro-4-fluorophenoxy)acetate
PubChem CID8941854
Molecular FormulaC16H11ClFNO4S
Molecular Weight367.79 g/mol
Exact Mass367.01
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-chloro-4-fluorophenoxy)acetate
SMILESO=C(COc1ccc(F)cc1Cl)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C16H11ClFNO4S/c17-12-6-10(18)3-4-13(12)21-9-16(20)22-8-11-7-14(23-19-11)15-2-1-5-24-15/h1-7H,8-9H2
InChIKeyQRHCDVJDSJHODK-UHFFFAOYSA-N
XLogP4.32
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 54.32
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-(2-chloro-4-fluorophenoxy)acetate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-chloro-4-fluorophenoxy)acetate (CID 8941854) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-chloro-4-fluorophenoxy)acetate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-chloro-4-fluorophenoxy)acetate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-chloro-4-fluorophenoxy)acetate is O=C(COc1ccc(F)cc1Cl)OCc1cc(-c2cccs2)on1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-chloro-4-fluorophenoxy)acetate?
The InChIKey is QRHCDVJDSJHODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO4S/c17-12-6-10(18)3-4-13(12)21-9-16(20)22-8-11-7-14(23-19-11)15-2-1-5-24-15/h1-7H,8-9H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-chloro-4-fluorophenoxy)acetate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-chloro-4-fluorophenoxy)acetate has a molecular weight of 367.79 g/mol, XLogP of 4.32, 6 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-(2-chloro-4-fluorophenoxy)acetate is sourced from PubChem (CID 8941854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).