4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide

C17H23N3O5 — CID 2031380

IUPAC4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCc1nc(-c2ccc(OC)c(OC)c2)no1
InChIInChI=1S/C17H23N3O5/c1-22-10-9-18-15(21)5-4-6-16-19-17(20-25-16)12-7-8-13(23-2)14(11-12)24-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,21)
InChIKeyYMHOWFSMUMURMZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.84
Rot. Bonds10

About 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide

4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide (PubChem CID 2031380) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide
PubChem CID2031380
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCc1nc(-c2ccc(OC)c(OC)c2)no1
InChIInChI=1S/C17H23N3O5/c1-22-10-9-18-15(21)5-4-6-16-19-17(20-25-16)12-7-8-13(23-2)14(11-12)24-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,21)
InChIKeyYMHOWFSMUMURMZ-UHFFFAOYSA-N
XLogP1.84
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.84
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

N-(3-methoxypropyl)-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 4887245
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pentylpropanamide
CID 18108283
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-hydroxyphenyl)butanamide
CID 46263763
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3,5-dimethylphenyl)butanamide
CID 46263765
4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid
CID 46263757
N-(2-methoxyethyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762175
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 33263722
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N',N'-dimethylpropanehydrazide
CID 9092622
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 9270126
N-(2-benzylsulfanylethyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18116057
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide
CID 4896437
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(naphthalen-1-ylmethyl)propanamide
CID 100761177

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide?
The IUPAC name of 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide (CID 2031380) is 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide?
The canonical SMILES for 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide is COCCNC(=O)CCCc1nc(-c2ccc(OC)c(OC)c2)no1.
What is the InChIKey of 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide?
The InChIKey is YMHOWFSMUMURMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-22-10-9-18-15(21)5-4-6-16-19-17(20-25-16)12-7-8-13(23-2)14(11-12)24-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,21).
What are the key properties of 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide?
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide has a molecular weight of 349.39 g/mol, XLogP of 1.84, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 2031380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).