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

C14H14N2O5 — CID 61497419

IUPAC2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OCc1noc(C2CC2)n1
InChIInChI=1S/C14H14N2O5/c1-19-10-4-2-3-9(14(17)18)12(10)20-7-11-15-13(21-16-11)8-5-6-8/h2-4,8H,5-7H2,1H3,(H,17,18)
InChIKeyKRLIAKDXLGEISN-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.23
Rot. Bonds6

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

2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid (PubChem CID 61497419) has the molecular formula C14H14N2O5 and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid
PubChem CID61497419
Molecular FormulaC14H14N2O5
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OCc1noc(C2CC2)n1
InChIInChI=1S/C14H14N2O5/c1-19-10-4-2-3-9(14(17)18)12(10)20-7-11-15-13(21-16-11)8-5-6-8/h2-4,8H,5-7H2,1H3,(H,17,18)
InChIKeyKRLIAKDXLGEISN-UHFFFAOYSA-N
XLogP2.23
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
CID 61497106
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]pyridine-4-carboxylic acid
CID 81446484
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methylbenzoic acid
CID 61497495
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
CID 86790986
3-methoxy-2-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040946
2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61496904
2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid
CID 116520653
3-ethoxy-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43366553
[5-chloro-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
CID 104664282
(2S)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104876160
[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608114
2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50956884

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid?
The IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid (CID 61497419) is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid?
The canonical SMILES for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid is COc1cccc(C(=O)O)c1OCc1noc(C2CC2)n1.
What is the InChIKey of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid?
The InChIKey is KRLIAKDXLGEISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-19-10-4-2-3-9(14(17)18)12(10)20-7-11-15-13(21-16-11)8-5-6-8/h2-4,8H,5-7H2,1H3,(H,17,18).
What are the key properties of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid?
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid has a molecular weight of 290.27 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methoxybenzoic acid is sourced from PubChem (CID 61497419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).