N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide

C23H19N3O4 — CID 4970793

IUPACN-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide
SMILESCOc1ccc(-c2noc(-c3cccc(NC(=O)COc4ccccc4)c3)n2)cc1
InChIInChI=1S/C23H19N3O4/c1-28-19-12-10-16(11-13-19)22-25-23(30-26-22)17-6-5-7-18(14-17)24-21(27)15-29-20-8-3-2-4-9-20/h2-14H,15H2,1H3,(H,24,27)
InChIKeyASYYNELJFLMGGY-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.43
Rot. Bonds7

About N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide

N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide (PubChem CID 4970793) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide
PubChem CID4970793
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide
SMILESCOc1ccc(-c2noc(-c3cccc(NC(=O)COc4ccccc4)c3)n2)cc1
InChIInChI=1S/C23H19N3O4/c1-28-19-12-10-16(11-13-19)22-25-23(30-26-22)17-6-5-7-18(14-17)24-21(27)15-29-20-8-3-2-4-9-20/h2-14H,15H2,1H3,(H,24,27)
InChIKeyASYYNELJFLMGGY-UHFFFAOYSA-N
XLogP4.43
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide (CID 4970793) is N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide is COc1ccc(-c2noc(-c3cccc(NC(=O)COc4ccccc4)c3)n2)cc1.
What is the InChIKey of N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide?
The InChIKey is ASYYNELJFLMGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-28-19-12-10-16(11-13-19)22-25-23(30-26-22)17-6-5-7-18(14-17)24-21(27)15-29-20-8-3-2-4-9-20/h2-14H,15H2,1H3,(H,24,27).
What are the key properties of N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide?
N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 401.42 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 4970793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).