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

C23H19N3O3 — CID 20896102

IUPACN-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide
SMILESCc1ccc(-c2noc(-c3cccc(NC(=O)COc4ccccc4)c3)n2)cc1
InChIInChI=1S/C23H19N3O3/c1-16-10-12-17(13-11-16)22-25-23(29-26-22)18-6-5-7-19(14-18)24-21(27)15-28-20-8-3-2-4-9-20/h2-14H,15H2,1H3,(H,24,27)
InChIKeyFJXBVMXOTFICHP-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.73
Rot. Bonds6

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

N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide (PubChem CID 20896102) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide
PubChem CID20896102
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide
SMILESCc1ccc(-c2noc(-c3cccc(NC(=O)COc4ccccc4)c3)n2)cc1
InChIInChI=1S/C23H19N3O3/c1-16-10-12-17(13-11-16)22-25-23(29-26-22)18-6-5-7-19(14-18)24-21(27)15-28-20-8-3-2-4-9-20/h2-14H,15H2,1H3,(H,24,27)
InChIKeyFJXBVMXOTFICHP-UHFFFAOYSA-N
XLogP4.73
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide (CID 20896102) is N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide is Cc1ccc(-c2noc(-c3cccc(NC(=O)COc4ccccc4)c3)n2)cc1.
What is the InChIKey of N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide?
The InChIKey is FJXBVMXOTFICHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-16-10-12-17(13-11-16)22-25-23(29-26-22)18-6-5-7-19(14-18)24-21(27)15-28-20-8-3-2-4-9-20/h2-14H,15H2,1H3,(H,24,27).
What are the key properties of N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide?
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 385.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 20896102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).