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

C23H18ClN3O4 — CID 50754145

IUPAC2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C23H18ClN3O4/c1-29-20-8-3-2-7-19(20)25-21(28)14-30-18-6-4-5-16(13-18)22-26-23(31-27-22)15-9-11-17(24)12-10-15/h2-13H,14H2,1H3,(H,25,28)
InChIKeyNISFRYUEDLXTKH-UHFFFAOYSA-N
MW435.87 g/mol
LogP5.08
Rot. Bonds7

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

2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide (PubChem CID 50754145) has the molecular formula C23H18ClN3O4 and a molecular weight of 435.87 g/mol. Its IUPAC name is 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
PubChem CID50754145
Molecular FormulaC23H18ClN3O4
Molecular Weight435.87 g/mol
Exact Mass435.10
IUPAC Name2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C23H18ClN3O4/c1-29-20-8-3-2-7-19(20)25-21(28)14-30-18-6-4-5-16(13-18)22-26-23(31-27-22)15-9-11-17(24)12-10-15/h2-13H,14H2,1H3,(H,25,28)
InChIKeyNISFRYUEDLXTKH-UHFFFAOYSA-N
XLogP5.08
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.87
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide
CID 45032483
N-(3-chlorophenyl)-2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 45032369
N-(4-fluorophenyl)-2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032439
N-(2-fluorophenyl)-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267221
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536
N-(3-chloro-2-methylphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25238000
N-(2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2000634
N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032393
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 95740885

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide (CID 50754145) is 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The InChIKey is NISFRYUEDLXTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4/c1-29-20-8-3-2-7-19(20)25-21(28)14-30-18-6-4-5-16(13-18)22-26-23(31-27-22)15-9-11-17(24)12-10-15/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of 2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide?
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide has a molecular weight of 435.87 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 50754145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).