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

C13H14N2O4 — CID 82133202

IUPAC3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCOc1ccccc1-c1nnc(C(C)CC(=O)O)o1
InChIInChI=1S/C13H14N2O4/c1-8(7-11(16)17)12-14-15-13(19-12)9-5-3-4-6-10(9)18-2/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyFVDGJFSGJLPZLC-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.32
Rot. Bonds5

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

3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 82133202) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID82133202
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCOc1ccccc1-c1nnc(C(C)CC(=O)O)o1
InChIInChI=1S/C13H14N2O4/c1-8(7-11(16)17)12-14-15-13(19-12)9-5-3-4-6-10(9)18-2/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyFVDGJFSGJLPZLC-UHFFFAOYSA-N
XLogP2.32
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 82131404
2-[[(1S)-3-amino-1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-oxopropyl]carbamoylamino]-3-hydroxybutanoic acid
CID 134255531
2-(1-bromopropyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 62856199
3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484094
5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391733
N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391670
1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857640
3-[3-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 121225121
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 9484090
3-[4-fluoro-3-(2-methoxyphenyl)phenyl]butanoic acid
CID 82543204
3-[3-fluoro-5-(2-methoxyphenyl)phenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 129094455
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,6-dimethoxybenzoate
CID 7604439

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 82133202) is 3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid is COc1ccccc1-c1nnc(C(C)CC(=O)O)o1.
What is the InChIKey of 3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is FVDGJFSGJLPZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8(7-11(16)17)12-14-15-13(19-12)9-5-3-4-6-10(9)18-2/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 262.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 82133202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).