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

C18H16FN3O3 — CID 51208585

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

IUPACN-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESCc1nc(-c2ccc(OCC(=O)Nc3ccc(C)c(F)c3)cc2)no1
InChIInChI=1S/C18H16FN3O3/c1-11-3-6-14(9-16(11)19)21-17(23)10-24-15-7-4-13(5-8-15)18-20-12(2)25-22-18/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyXSJOTMXVBOJZDN-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.51
Rot. Bonds5

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

N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (PubChem CID 51208585) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
PubChem CID51208585
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESCc1nc(-c2ccc(OCC(=O)Nc3ccc(C)c(F)c3)cc2)no1
InChIInChI=1S/C18H16FN3O3/c1-11-3-6-14(9-16(11)19)21-17(23)10-24-15-7-4-13(5-8-15)18-20-12(2)25-22-18/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyXSJOTMXVBOJZDN-UHFFFAOYSA-N
XLogP3.51
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (CID 51208585) is N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is Cc1nc(-c2ccc(OCC(=O)Nc3ccc(C)c(F)c3)cc2)no1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The InChIKey is XSJOTMXVBOJZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-11-3-6-14(9-16(11)19)21-17(23)10-24-15-7-4-13(5-8-15)18-20-12(2)25-22-18/h3-9H,10H2,1-2H3,(H,21,23).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide has a molecular weight of 341.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is sourced from PubChem (CID 51208585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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