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

C15H17N3O5 — CID 119224012

IUPAC2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccccc1OCc1noc(C)n1)C(=O)O
InChIInChI=1S/C15H17N3O5/c1-3-11(15(20)21)17-14(19)10-6-4-5-7-12(10)22-8-13-16-9(2)23-18-13/h4-7,11H,3,8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyOYCIBIFMYBENHI-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.55
Rot. Bonds7

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

2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid (PubChem CID 119224012) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid
PubChem CID119224012
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccccc1OCc1noc(C)n1)C(=O)O
InChIInChI=1S/C15H17N3O5/c1-3-11(15(20)21)17-14(19)10-6-4-5-7-12(10)22-8-13-16-9(2)23-18-13/h4-7,11H,3,8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyOYCIBIFMYBENHI-UHFFFAOYSA-N
XLogP1.55
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 51075427
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 94177209
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16579605
N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46673190
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 86822452
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-quinolin-3-ylbenzamide
CID 31031173
(1R)-1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-ol
CID 63365311
N-[4-(cyclopropanecarbonylamino)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 18140921
5-chloro-2-methoxy-N'-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]benzohydrazide
CID 43038748
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 31309262

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid?
The IUPAC name of 2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid (CID 119224012) is 2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid is CCC(NC(=O)c1ccccc1OCc1noc(C)n1)C(=O)O.
What is the InChIKey of 2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid?
The InChIKey is OYCIBIFMYBENHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-3-11(15(20)21)17-14(19)10-6-4-5-7-12(10)22-8-13-16-9(2)23-18-13/h4-7,11H,3,8H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid?
2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid has a molecular weight of 319.32 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid is sourced from PubChem (CID 119224012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).