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

C22H16ClN3O3 — CID 45032423

IUPAC2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)Nc1ccccc1
InChIInChI=1S/C22H16ClN3O3/c23-17-11-9-15(10-12-17)22-25-21(26-29-22)16-5-4-8-19(13-16)28-14-20(27)24-18-6-2-1-3-7-18/h1-13H,14H2,(H,24,27)
InChIKeyKCBDKKNAHQGTBZ-UHFFFAOYSA-N
MW405.84 g/mol
LogP5.07
Rot. Bonds6

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

2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide (PubChem CID 45032423) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
PubChem CID45032423
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC Name2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)Nc1ccccc1
InChIInChI=1S/C22H16ClN3O3/c23-17-11-9-15(10-12-17)22-25-21(26-29-22)16-5-4-8-19(13-16)28-14-20(27)24-18-6-2-1-3-7-18/h1-13H,14H2,(H,24,27)
InChIKeyKCBDKKNAHQGTBZ-UHFFFAOYSA-N
XLogP5.07
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.84
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 45032369
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 45032427
2-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032408
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032388
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-(2-methoxyphenyl)acetamide
CID 50754145
N-(4-chlorophenyl)-2-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 45032525
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032393
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 39866946
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 39866944
2-(4-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 39867028

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide (CID 45032423) is 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide is O=C(COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)Nc1ccccc1.
What is the InChIKey of 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
The InChIKey is KCBDKKNAHQGTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c23-17-11-9-15(10-12-17)22-25-21(26-29-22)16-5-4-8-19(13-16)28-14-20(27)24-18-6-2-1-3-7-18/h1-13H,14H2,(H,24,27).
What are the key properties of 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide has a molecular weight of 405.84 g/mol, XLogP of 5.07, 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-phenylacetamide is sourced from PubChem (CID 45032423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).