3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid

C14H16N2O5 — CID 43366553

IUPAC3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
SMILESCCOc1cccc(C(=O)O)c1OCc1nc(CC)no1
InChIInChI=1S/C14H16N2O5/c1-3-11-15-12(21-16-11)8-20-13-9(14(17)18)6-5-7-10(13)19-4-2/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyMGEAGDUBRKIHKS-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.31
Rot. Bonds7

About 3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid

3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid (PubChem CID 43366553) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
PubChem CID43366553
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
SMILESCCOc1cccc(C(=O)O)c1OCc1nc(CC)no1
InChIInChI=1S/C14H16N2O5/c1-3-11-15-12(21-16-11)8-20-13-9(14(17)18)6-5-7-10(13)19-4-2/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyMGEAGDUBRKIHKS-UHFFFAOYSA-N
XLogP2.31
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 115955982
[3-ethoxy-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495108
3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 16769058
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid
CID 28781895
[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28783005
5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole
CID 83174607
5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
CID 28782458
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid
CID 43174579
[3-bromo-5-ethoxy-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 43627156
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid
CID 61497419
2-(2-carboxy-2-methylpropoxy)-3-ethoxybenzoic acid
CID 79624013

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
The IUPAC name of 3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid (CID 43366553) is 3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
The canonical SMILES for 3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid is CCOc1cccc(C(=O)O)c1OCc1nc(CC)no1.
What is the InChIKey of 3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
The InChIKey is MGEAGDUBRKIHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-3-11-15-12(21-16-11)8-20-13-9(14(17)18)6-5-7-10(13)19-4-2/h5-7H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid?
3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid has a molecular weight of 292.29 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 43366553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).