4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid

C11H10N2O5 — CID 28782613

IUPAC4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1OCc1ncon1
InChIInChI=1S/C11H10N2O5/c1-16-8-3-2-7(11(14)15)4-9(8)17-5-10-12-6-18-13-10/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyRJUNXIIXUOGOTF-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.36
Rot. Bonds5

About 4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid

4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid (PubChem CID 28782613) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
PubChem CID28782613
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1OCc1ncon1
InChIInChI=1S/C11H10N2O5/c1-16-8-3-2-7(11(14)15)4-9(8)17-5-10-12-6-18-13-10/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyRJUNXIIXUOGOTF-UHFFFAOYSA-N
XLogP1.36
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,2,4-oxadiazol-3-ylmethoxy)-3-(trifluoromethyl)benzoic acid
CID 63320136
3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid
CID 117053432
4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61495281
4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040973
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 67718067
3-bromo-5-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
CID 43627104
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid
CID 28781895
4-methoxy-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 22707049
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
3-ethoxy-4-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62700677
4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid
CID 79726833

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid?
The IUPAC name of 4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid (CID 28782613) is 4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid?
The canonical SMILES for 4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid is COc1ccc(C(=O)O)cc1OCc1ncon1.
What is the InChIKey of 4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid?
The InChIKey is RJUNXIIXUOGOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-16-8-3-2-7(11(14)15)4-9(8)17-5-10-12-6-18-13-10/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid?
4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid has a molecular weight of 250.21 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid is sourced from PubChem (CID 28782613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).