4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoic acid

C14H15NO5 — CID 2433161

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCc1c(C)noc1C
InChIInChI=1S/C14H15NO5/c1-8-11(9(2)20-15-8)7-19-12-5-4-10(14(16)17)6-13(12)18-3/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyAPEFXJUOGYEBEW-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.58
Rot. Bonds5

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoic acid (PubChem CID 2433161) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoic acid
PubChem CID2433161
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCc1c(C)noc1C
InChIInChI=1S/C14H15NO5/c1-8-11(9(2)20-15-8)7-19-12-5-4-10(14(16)17)6-13(12)18-3/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyAPEFXJUOGYEBEW-UHFFFAOYSA-N
XLogP2.58
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoic acid?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoic acid (CID 2433161) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoic acid?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1OCc1c(C)noc1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoic acid?
The InChIKey is APEFXJUOGYEBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-8-11(9(2)20-15-8)7-19-12-5-4-10(14(16)17)6-13(12)18-3/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoic acid?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoic acid has a molecular weight of 277.28 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoic acid is sourced from PubChem (CID 2433161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).