2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide

C19H18FN3O3 — CID 50755911

IUPAC2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1cccc(-c2noc(-c3ccccc3F)n2)c1
InChIInChI=1S/C19H18FN3O3/c1-12(2)21-17(24)11-25-14-7-5-6-13(10-14)18-22-19(26-23-18)15-8-3-4-9-16(15)20/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyBPLMIDVFBZTKKT-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.45
Rot. Bonds6

About 2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide

2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 50755911) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
PubChem CID50755911
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1cccc(-c2noc(-c3ccccc3F)n2)c1
InChIInChI=1S/C19H18FN3O3/c1-12(2)21-17(24)11-25-14-7-5-6-13(10-14)18-22-19(26-23-18)15-8-3-4-9-16(15)20/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyBPLMIDVFBZTKKT-UHFFFAOYSA-N
XLogP3.45
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 95740885
2-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032408
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032399
1-butan-2-yl-3-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 46321489
N-(4-fluorophenyl)-2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032439
2-(3-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 20896070
N-benzyl-2-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 50755668
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol
CID 123369622
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032388
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032423
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 45032427

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide (CID 50755911) is 2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1cccc(-c2noc(-c3ccccc3F)n2)c1.
What is the InChIKey of 2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is BPLMIDVFBZTKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12(2)21-17(24)11-25-14-7-5-6-13(10-14)18-22-19(26-23-18)15-8-3-4-9-16(15)20/h3-10,12H,11H2,1-2H3,(H,21,24).
What are the key properties of 2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 355.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 50755911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).