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

C22H15ClFN3O3 — CID 45032427

IUPAC2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)Nc1ccc(F)cc1
InChIInChI=1S/C22H15ClFN3O3/c23-16-6-4-14(5-7-16)22-26-21(27-30-22)15-2-1-3-19(12-15)29-13-20(28)25-18-10-8-17(24)9-11-18/h1-12H,13H2,(H,25,28)
InChIKeyYPVLAKRNYMMEOJ-UHFFFAOYSA-N
MW423.83 g/mol
LogP5.21
Rot. Bonds6

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

2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 45032427) has the molecular formula C22H15ClFN3O3 and a molecular weight of 423.83 g/mol. Its IUPAC name is 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID45032427
Molecular FormulaC22H15ClFN3O3
Molecular Weight423.83 g/mol
Exact Mass423.08
IUPAC Name2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)Nc1ccc(F)cc1
InChIInChI=1S/C22H15ClFN3O3/c23-16-6-4-14(5-7-16)22-26-21(27-30-22)15-2-1-3-19(12-15)29-13-20(28)25-18-10-8-17(24)9-11-18/h1-12H,13H2,(H,25,28)
InChIKeyYPVLAKRNYMMEOJ-UHFFFAOYSA-N
XLogP5.21
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.83
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032439
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032423
2-(4-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 39867028
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 39866944
N-(3-chlorophenyl)-2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 45032369
N-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 45032525
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 50754145
2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
CID 45032444
2-(2-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 39867524
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 39866946
2-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032408
N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032393

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide (CID 45032427) is 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide is O=C(COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is YPVLAKRNYMMEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O3/c23-16-6-4-14(5-7-16)22-26-21(27-30-22)15-2-1-3-19(12-15)29-13-20(28)25-18-10-8-17(24)9-11-18/h1-12H,13H2,(H,25,28).
What are the key properties of 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide?
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 423.83 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 45032427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).