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

C23H18FN3O3 — CID 45032644

IUPAC2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2cccc(F)c2)n1
InChIInChI=1S/C23H18FN3O3/c1-15-7-2-4-11-19(15)25-21(28)14-29-20-12-5-3-10-18(20)22-26-23(30-27-22)16-8-6-9-17(24)13-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyUDHWEDHMODTXPJ-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.87
Rot. Bonds6

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

2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide (PubChem CID 45032644) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide
PubChem CID45032644
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2cccc(F)c2)n1
InChIInChI=1S/C23H18FN3O3/c1-15-7-2-4-11-19(15)25-21(28)14-29-20-12-5-3-10-18(20)22-26-23(30-27-22)16-8-6-9-17(24)13-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyUDHWEDHMODTXPJ-UHFFFAOYSA-N
XLogP4.87
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746105
N-(2,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46264826
2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide
CID 45032483
N-(2-methylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266748
N-(2,3-dimethylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745798
N-(3,5-dimethylphenyl)-2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746040
N-(2-methylphenyl)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266701
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779
N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746047
N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746036
2-(2-amino-4-fluorophenoxy)-N-(2-methylphenyl)acetamide
CID 62368683
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 53178126

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide (CID 45032644) is 2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide?
The InChIKey is UDHWEDHMODTXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-15-7-2-4-11-19(15)25-21(28)14-29-20-12-5-3-10-18(20)22-26-23(30-27-22)16-8-6-9-17(24)13-16/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of 2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide?
2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide has a molecular weight of 403.41 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 45032644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).