2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

C15H12FN3O3S — CID 56763936

IUPAC2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1csc(-c2nnc(NC(=O)COc3ccccc3F)o2)c1
InChIInChI=1S/C15H12FN3O3S/c1-9-6-12(23-8-9)14-18-19-15(22-14)17-13(20)7-21-11-5-3-2-4-10(11)16/h2-6,8H,7H2,1H3,(H,17,19,20)
InChIKeyUPQGLXLRRDLQNM-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.26
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 56763936) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID56763936
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC Name2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1csc(-c2nnc(NC(=O)COc3ccccc3F)o2)c1
InChIInChI=1S/C15H12FN3O3S/c1-9-6-12(23-8-9)14-18-19-15(22-14)17-13(20)7-21-11-5-3-2-4-10(11)16/h2-6,8H,7H2,1H3,(H,17,19,20)
InChIKeyUPQGLXLRRDLQNM-UHFFFAOYSA-N
XLogP3.26
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 56763936) is 2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is Cc1csc(-c2nnc(NC(=O)COc3ccccc3F)o2)c1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is UPQGLXLRRDLQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c1-9-6-12(23-8-9)14-18-19-15(22-14)17-13(20)7-21-11-5-3-2-4-10(11)16/h2-6,8H,7H2,1H3,(H,17,19,20).
What are the key properties of 2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 333.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 56763936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).