2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide

C23H18FN3O4 — CID 45032593

IUPAC2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccccc1-c1noc(COc2ccccc2F)n1)Nc1ccccc1
InChIInChI=1S/C23H18FN3O4/c24-18-11-5-7-13-20(18)30-15-22-26-23(27-31-22)17-10-4-6-12-19(17)29-14-21(28)25-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,25,28)
InChIKeyWKKXZKVXOCUOSW-UHFFFAOYSA-N
MW419.41 g/mol
LogP4.47
Rot. Bonds8

About 2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide

2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide (PubChem CID 45032593) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
PubChem CID45032593
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC Name2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccccc1-c1noc(COc2ccccc2F)n1)Nc1ccccc1
InChIInChI=1S/C23H18FN3O4/c24-18-11-5-7-13-20(18)30-15-22-26-23(27-31-22)17-10-4-6-12-19(17)29-14-21(28)25-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,25,28)
InChIKeyWKKXZKVXOCUOSW-UHFFFAOYSA-N
XLogP4.47
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 45032694
2-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 45032616
N-(4-methoxyphenyl)-2-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 50753500
2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032585
2-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 45032784
2-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
CID 50753468
N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746047
2-[2-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 45032609
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
CID 87005359
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 110669879
2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 50745782
3-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 51152953

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide (CID 45032593) is 2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide is O=C(COc1ccccc1-c1noc(COc2ccccc2F)n1)Nc1ccccc1.
What is the InChIKey of 2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
The InChIKey is WKKXZKVXOCUOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c24-18-11-5-7-13-20(18)30-15-22-26-23(27-31-22)17-10-4-6-12-19(17)29-14-21(28)25-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,25,28).
What are the key properties of 2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide has a molecular weight of 419.41 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 45032593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).