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

C23H18FN3O3 — CID 50746047

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H18FN3O3/c1-15-6-8-16(9-7-15)22-26-23(30-27-22)19-4-2-3-5-20(19)29-14-21(28)25-18-12-10-17(24)11-13-18/h2-13H,14H2,1H3,(H,25,28)
InChIKeyQCGDKXMHVBOMOR-UHFFFAOYSA-N
MW403.41 g/mol
LogP4.87
Rot. Bonds6

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

N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (PubChem CID 50746047) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
PubChem CID50746047
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC NameN-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H18FN3O3/c1-15-6-8-16(9-7-15)22-26-23(30-27-22)19-4-2-3-5-20(19)29-14-21(28)25-18-12-10-17(24)11-13-18/h2-13H,14H2,1H3,(H,25,28)
InChIKeyQCGDKXMHVBOMOR-UHFFFAOYSA-N
XLogP4.87
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (CID 50746047) is N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The InChIKey is QCGDKXMHVBOMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-15-6-8-16(9-7-15)22-26-23(30-27-22)19-4-2-3-5-20(19)29-14-21(28)25-18-12-10-17(24)11-13-18/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide has a molecular weight of 403.41 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 50746047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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