5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid

C17H21N3O5 — CID 119234883

IUPAC5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid
SMILESCCc1nc(COc2ccc(C(=O)NCCCCC(=O)O)cc2)no1
InChIInChI=1S/C17H21N3O5/c1-2-15-19-14(20-25-15)11-24-13-8-6-12(7-9-13)17(23)18-10-4-3-5-16(21)22/h6-9H,2-5,10-11H2,1H3,(H,18,23)(H,21,22)
InChIKeyVCUGMYLQEXTCDX-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.20
Rot. Bonds10

About 5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid

5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid (PubChem CID 119234883) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid
PubChem CID119234883
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid
SMILESCCc1nc(COc2ccc(C(=O)NCCCCC(=O)O)cc2)no1
InChIInChI=1S/C17H21N3O5/c1-2-15-19-14(20-25-15)11-24-13-8-6-12(7-9-13)17(23)18-10-4-3-5-16(21)22/h6-9H,2-5,10-11H2,1H3,(H,18,23)(H,21,22)
InChIKeyVCUGMYLQEXTCDX-UHFFFAOYSA-N
XLogP2.20
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119383309
2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid
CID 119187712
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide
CID 119446462
2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid
CID 119206239
(2R)-2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-4-methylpentanoic acid
CID 119364476
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556658
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 126777122
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[2-(6-methyl-1H-indol-3-yl)ethyl]benzamide
CID 86957414
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
3-[2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]ethyldisulfanyl]propanoic acid;2,2,2-trifluoroacetic acid
CID 166425113
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120599625
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-one
CID 115495429

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid?
The IUPAC name of 5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid (CID 119234883) is 5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid?
The canonical SMILES for 5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid is CCc1nc(COc2ccc(C(=O)NCCCCC(=O)O)cc2)no1.
What is the InChIKey of 5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid?
The InChIKey is VCUGMYLQEXTCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-2-15-19-14(20-25-15)11-24-13-8-6-12(7-9-13)17(23)18-10-4-3-5-16(21)22/h6-9H,2-5,10-11H2,1H3,(H,18,23)(H,21,22).
What are the key properties of 5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid?
5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid has a molecular weight of 347.37 g/mol, XLogP of 2.20, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid is sourced from PubChem (CID 119234883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).