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

C13H14N2O5 — CID 61269411

IUPAC2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid
SMILESCCc1nnc(COc2cc(OC)ccc2C(=O)O)o1
InChIInChI=1S/C13H14N2O5/c1-3-11-14-15-12(20-11)7-19-10-6-8(18-2)4-5-9(10)13(16)17/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyPRMHILBTNGLKQA-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.92
Rot. Bonds6

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

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid (PubChem CID 61269411) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid
PubChem CID61269411
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid
SMILESCCc1nnc(COc2cc(OC)ccc2C(=O)O)o1
InChIInChI=1S/C13H14N2O5/c1-3-11-14-15-12(20-11)7-19-10-6-8(18-2)4-5-9(10)13(16)17/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyPRMHILBTNGLKQA-UHFFFAOYSA-N
XLogP1.92
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid
CID 61379364
4-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzoic acid
CID 60651733
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid
CID 104795960
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
2-(3-amino-3-oxopropoxy)-4-methoxybenzoic acid
CID 60712906
4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 115981695
4-methoxy-2-[(5-phenyl-1,3-oxazol-2-yl)methoxy]benzamide
CID 47004427
2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 62126311
2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 83236085
[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol
CID 28782963

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid?
The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid (CID 61269411) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid?
The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid is CCc1nnc(COc2cc(OC)ccc2C(=O)O)o1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid?
The InChIKey is PRMHILBTNGLKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-3-11-14-15-12(20-11)7-19-10-6-8(18-2)4-5-9(10)13(16)17/h4-6H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid?
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid has a molecular weight of 278.26 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid is sourced from PubChem (CID 61269411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).