4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid

C14H11NO5 — CID 69357116

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid
SMILESCc1cc(COc2cc(C(=O)O)cc3occc23)no1
InChIInChI=1S/C14H11NO5/c1-8-4-10(15-20-8)7-19-13-6-9(14(16)17)5-12-11(13)2-3-18-12/h2-6H,7H2,1H3,(H,16,17)
InChIKeyKAOMECRYDGMFSG-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.01
Rot. Bonds4

About 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid

4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid (PubChem CID 69357116) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid
PubChem CID69357116
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid
SMILESCc1cc(COc2cc(C(=O)O)cc3occc23)no1
InChIInChI=1S/C14H11NO5/c1-8-4-10(15-20-8)7-19-13-6-9(14(16)17)5-12-11(13)2-3-18-12/h2-6H,7H2,1H3,(H,16,17)
InChIKeyKAOMECRYDGMFSG-UHFFFAOYSA-N
XLogP3.01
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3E,4Z)-3-ethylidene-6-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-yl]ethenylamino]hepta-1,4,6-trien-2-ol
CID 89318847
3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
CID 45293842
4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-(trifluoromethyl)benzoic acid
CID 63320749
4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid
CID 102537138
[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-phenylmethanone
CID 9137989
1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone
CID 28782365
3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
CID 60673786
4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid
CID 63263557
4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid
CID 66156033
methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate
CID 91466477
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 43214757

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid (CID 69357116) is 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid is Cc1cc(COc2cc(C(=O)O)cc3occc23)no1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid?
The InChIKey is KAOMECRYDGMFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-8-4-10(15-20-8)7-19-13-6-9(14(16)17)5-12-11(13)2-3-18-12/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid?
4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid has a molecular weight of 273.24 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylic acid is sourced from PubChem (CID 69357116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).