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

C15H13NO5 — CID 91466477

IUPACmethyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate
SMILESCOC(=O)c1ccc2cc(OCc3cc(C)on3)oc2c1
InChIInChI=1S/C15H13NO5/c1-9-5-12(16-21-9)8-19-14-7-10-3-4-11(15(17)18-2)6-13(10)20-14/h3-7H,8H2,1-2H3
InChIKeyXFONISYESFHACL-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.09
Rot. Bonds4

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

methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate (PubChem CID 91466477) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate
PubChem CID91466477
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Namemethyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate
SMILESCOC(=O)c1ccc2cc(OCc3cc(C)on3)oc2c1
InChIInChI=1S/C15H13NO5/c1-9-5-12(16-21-9)8-19-14-7-10-3-4-11(15(17)18-2)6-13(10)20-14/h3-7H,8H2,1-2H3
InChIKeyXFONISYESFHACL-UHFFFAOYSA-N
XLogP3.09
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate?
The IUPAC name of methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate (CID 91466477) is methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate.
What is the SMILES notation for methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate?
The canonical SMILES for methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate is COC(=O)c1ccc2cc(OCc3cc(C)on3)oc2c1.
What is the InChIKey of methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate?
The InChIKey is XFONISYESFHACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-9-5-12(16-21-9)8-19-14-7-10-3-4-11(15(17)18-2)6-13(10)20-14/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate?
methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate has a molecular weight of 287.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-benzofuran-6-carboxylate is sourced from PubChem (CID 91466477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).