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

C22H25N3O4 — CID 46267238

IUPACN-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc(-c2noc(-c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C22H25N3O4/c1-4-5-12-23-20(26)14-28-18-11-10-17(13-19(18)27-3)21-24-22(29-25-21)16-8-6-15(2)7-9-16/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,26)
InChIKeyLZXZQSQOAZISOA-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.02
Rot. Bonds9

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

N-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 46267238) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
PubChem CID46267238
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc(-c2noc(-c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C22H25N3O4/c1-4-5-12-23-20(26)14-28-18-11-10-17(13-19(18)27-3)21-24-22(29-25-21)16-8-6-15(2)7-9-16/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,26)
InChIKeyLZXZQSQOAZISOA-UHFFFAOYSA-N
XLogP4.02
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267236
2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 46267171
N-(2-fluorophenyl)-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267221
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-propylacetamide
CID 25238298
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone
CID 46052889
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pentylpropanamide
CID 18108283
2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 39867676
N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267215
N-cyclohexyl-2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 46267182
N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
CID 60627689
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethoxyphenoxy]acetic acid
CID 23010360
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The IUPAC name of N-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 46267238) is N-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.
What is the SMILES notation for N-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The canonical SMILES for N-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is CCCCNC(=O)COc1ccc(-c2noc(-c3ccc(C)cc3)n2)cc1OC.
What is the InChIKey of N-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The InChIKey is LZXZQSQOAZISOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-4-5-12-23-20(26)14-28-18-11-10-17(13-19(18)27-3)21-24-22(29-25-21)16-8-6-15(2)7-9-16/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,26).
What are the key properties of N-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
N-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 395.46 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 46267238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).