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

C12H11NO5 — CID 117053432

IUPAC3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCc1ccon1
InChIInChI=1S/C12H11NO5/c1-16-11-6-8(12(14)15)2-3-10(11)17-7-9-4-5-18-13-9/h2-6H,7H2,1H3,(H,14,15)
InChIKeyRHICWPQLLYNIMN-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.96
Rot. Bonds5

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

3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid (PubChem CID 117053432) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid
PubChem CID117053432
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCc1ccon1
InChIInChI=1S/C12H11NO5/c1-16-11-6-8(12(14)15)2-3-10(11)17-7-9-4-5-18-13-9/h2-6H,7H2,1H3,(H,14,15)
InChIKeyRHICWPQLLYNIMN-UHFFFAOYSA-N
XLogP1.96
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
CID 28782613
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335
3,4-dimethoxybenzoic acid;methanol
CID 144580050
3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019580
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid
CID 28781895
4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid
CID 45397817
4-(2-amino-2-methylpropoxy)-3-methoxybenzoic acid
CID 117053424
4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid
CID 104637822
3,4-dimethoxy-N-(1,2-oxazol-3-yl)benzamide
CID 17217711
methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate
CID 122142295

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid?
The IUPAC name of 3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid (CID 117053432) is 3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid.
What is the SMILES notation for 3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid?
The canonical SMILES for 3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid is COc1cc(C(=O)O)ccc1OCc1ccon1.
What is the InChIKey of 3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid?
The InChIKey is RHICWPQLLYNIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-16-11-6-8(12(14)15)2-3-10(11)17-7-9-4-5-18-13-9/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid?
3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid has a molecular weight of 249.22 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid is sourced from PubChem (CID 117053432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).