4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide

C21H20N4O4 — CID 55765783

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1-c1noc(C)n1
InChIInChI=1S/C21H20N4O4/c1-14-23-21(25-29-14)16-6-3-4-7-17(16)24-20(26)8-5-11-28-18-10-9-15(13-22)12-19(18)27-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,24,26)
InChIKeyFEGUHGVDNDYKAD-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.72
Rot. Bonds8

About 4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide

4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide (PubChem CID 55765783) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide
PubChem CID55765783
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1-c1noc(C)n1
InChIInChI=1S/C21H20N4O4/c1-14-23-21(25-29-14)16-6-3-4-7-17(16)24-20(26)8-5-11-28-18-10-9-15(13-22)12-19(18)27-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,24,26)
InChIKeyFEGUHGVDNDYKAD-UHFFFAOYSA-N
XLogP3.72
TPSA110.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 78789106
3-[4-(4-cyano-2-methoxyphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
CID 55784723
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide
CID 47835221
4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide
CID 60590949
4-(4-cyano-2-methoxyphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 55719091
3,5-dimethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 55700663
4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide
CID 55742192
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide
CID 55758533
4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55712515
4-(4-acetyl-2-methoxyphenoxy)-N-(2-aminophenyl)butanamide
CID 119422412

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide (CID 55765783) is 4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide is COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1-c1noc(C)n1.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide?
The InChIKey is FEGUHGVDNDYKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-14-23-21(25-29-14)16-6-3-4-7-17(16)24-20(26)8-5-11-28-18-10-9-15(13-22)12-19(18)27-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,24,26).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide has a molecular weight of 392.42 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 55765783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).