4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid

C20H19N3O5 — CID 17234719

IUPAC4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid
SMILESCOc1ccccc1-c1noc(CCCC(=O)Nc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C20H19N3O5/c1-27-16-6-3-2-5-15(16)19-22-18(28-23-19)8-4-7-17(24)21-14-11-9-13(10-12-14)20(25)26/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,21,24)(H,25,26)
InChIKeyREYSLXPVGCFTEI-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.40
Rot. Bonds8

About 4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid

4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid (PubChem CID 17234719) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid.

Molecular Properties

Compound Name4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid
PubChem CID17234719
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid
SMILESCOc1ccccc1-c1noc(CCCC(=O)Nc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C20H19N3O5/c1-27-16-6-3-2-5-15(16)19-22-18(28-23-19)8-4-7-17(24)21-14-11-9-13(10-12-14)20(25)26/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,21,24)(H,25,26)
InChIKeyREYSLXPVGCFTEI-UHFFFAOYSA-N
XLogP3.40
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46263739
4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid
CID 46263757
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 156587081
N-(2-ethoxyphenyl)-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160360
4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)butanamide
CID 2990172
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17344112
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-hydroxyphenyl)butanamide
CID 46263763
N-[2-(2-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50957271
4-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)butanamide
CID 2985774
N-(2-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160338
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 17354606

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid?
The IUPAC name of 4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid (CID 17234719) is 4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid.
What is the SMILES notation for 4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid?
The canonical SMILES for 4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid is COc1ccccc1-c1noc(CCCC(=O)Nc2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid?
The InChIKey is REYSLXPVGCFTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-27-16-6-3-2-5-15(16)19-22-18(28-23-19)8-4-7-17(24)21-14-11-9-13(10-12-14)20(25)26/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,21,24)(H,25,26).
What are the key properties of 4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid?
4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid has a molecular weight of 381.39 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid is sourced from PubChem (CID 17234719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).