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

C17H21N3O5 — CID 119223782

IUPAC2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid
SMILESCCC(NC(=O)CCCc1nc(-c2ccc(OC)cc2)no1)C(=O)O
InChIInChI=1S/C17H21N3O5/c1-3-13(17(22)23)18-14(21)5-4-6-15-19-16(20-25-15)11-7-9-12(24-2)10-8-11/h7-10,13H,3-6H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyXEFOEVVAYOPQRM-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.05
Rot. Bonds9

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

2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid (PubChem CID 119223782) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid.

Molecular Properties

Compound Name2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid
PubChem CID119223782
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid
SMILESCCC(NC(=O)CCCc1nc(-c2ccc(OC)cc2)no1)C(=O)O
InChIInChI=1S/C17H21N3O5/c1-3-13(17(22)23)18-14(21)5-4-6-15-19-16(20-25-15)11-7-9-12(24-2)10-8-11/h7-10,13H,3-6H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyXEFOEVVAYOPQRM-UHFFFAOYSA-N
XLogP2.05
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylpentanoic acid
CID 119188483
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55651467
(2S)-3-(1H-indol-3-yl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]propanoic acid
CID 97233892
2-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 119223600
(2R)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methylbutanoic acid
CID 119368338
2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]-4-methylpentanoic acid
CID 119188396
N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38706011
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butanamide
CID 46460562
2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119223527
N-[1-(4-methylphenyl)propyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24543553
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760240
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 96559554

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid?
The IUPAC name of 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid (CID 119223782) is 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid.
What is the SMILES notation for 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid?
The canonical SMILES for 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid is CCC(NC(=O)CCCc1nc(-c2ccc(OC)cc2)no1)C(=O)O.
What is the InChIKey of 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid?
The InChIKey is XEFOEVVAYOPQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-3-13(17(22)23)18-14(21)5-4-6-15-19-16(20-25-15)11-7-9-12(24-2)10-8-11/h7-10,13H,3-6H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid?
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid has a molecular weight of 347.37 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid is sourced from PubChem (CID 119223782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).