ethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate

C16H15NO4 — CID 68714707

IUPACethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2cccc(-c3cc(C)no3)c2c1C
InChIInChI=1S/C16H15NO4/c1-4-19-16(18)15-10(3)14-11(6-5-7-12(14)20-15)13-8-9(2)17-21-13/h5-8H,4H2,1-3H3
InChIKeyZOXSRMMMTDJHGR-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.88
Rot. Bonds3

About ethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate

ethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate (PubChem CID 68714707) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is ethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate
PubChem CID68714707
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Nameethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2cccc(-c3cc(C)no3)c2c1C
InChIInChI=1S/C16H15NO4/c1-4-19-16(18)15-10(3)14-11(6-5-7-12(14)20-15)13-8-9(2)17-21-13/h5-8H,4H2,1-3H3
InChIKeyZOXSRMMMTDJHGR-UHFFFAOYSA-N
XLogP3.88
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate (CID 68714707) is ethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2cccc(-c3cc(C)no3)c2c1C.
What is the InChIKey of ethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate?
The InChIKey is ZOXSRMMMTDJHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-4-19-16(18)15-10(3)14-11(6-5-7-12(14)20-15)13-8-9(2)17-21-13/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate?
ethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 68714707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).