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

C13H14N2O5 — CID 28781895

IUPAC4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid
SMILESCCc1noc(COc2ccc(C(=O)O)cc2OC)n1
InChIInChI=1S/C13H14N2O5/c1-3-11-14-12(20-15-11)7-19-9-5-4-8(13(16)17)6-10(9)18-2/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyKGXOPEKHRLZPMA-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.92
Rot. Bonds6

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

4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid (PubChem CID 28781895) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid
PubChem CID28781895
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid
SMILESCCc1noc(COc2ccc(C(=O)O)cc2OC)n1
InChIInChI=1S/C13H14N2O5/c1-3-11-14-12(20-15-11)7-19-9-5-4-8(13(16)17)6-10(9)18-2/h4-6H,3,7H2,1-2H3,(H,16,17)
InChIKeyKGXOPEKHRLZPMA-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-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61495281
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 60881866
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorobenzoic acid
CID 61320368
4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 67718067
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 28782310
3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid
CID 117053432
(1R)-1-[3-methoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364675
(1S)-1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001713
3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019580
1-[3-methoxy-4-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 30386873
4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid
CID 104637822
4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
CID 28782613

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid?
The IUPAC name of 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid (CID 28781895) is 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid?
The canonical SMILES for 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid is CCc1noc(COc2ccc(C(=O)O)cc2OC)n1.
What is the InChIKey of 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid?
The InChIKey is KGXOPEKHRLZPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-3-11-14-12(20-15-11)7-19-9-5-4-8(13(16)17)6-10(9)18-2/h4-6H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid?
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-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 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid is sourced from PubChem (CID 28781895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).