methyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate

C14H11NO5 — CID 67547246

IUPACmethyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate
SMILESCOC(=O)CC1N=C(c2ccc3occc3c2)OC1=O
InChIInChI=1S/C14H11NO5/c1-18-12(16)7-10-14(17)20-13(15-10)9-2-3-11-8(6-9)4-5-19-11/h2-6,10H,7H2,1H3
InChIKeyLLODXGKRCXJBAN-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.67
Rot. Bonds3

About methyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate

methyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate (PubChem CID 67547246) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is methyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate
PubChem CID67547246
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Namemethyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate
SMILESCOC(=O)CC1N=C(c2ccc3occc3c2)OC1=O
InChIInChI=1S/C14H11NO5/c1-18-12(16)7-10-14(17)20-13(15-10)9-2-3-11-8(6-9)4-5-19-11/h2-6,10H,7H2,1H3
InChIKeyLLODXGKRCXJBAN-UHFFFAOYSA-N
XLogP1.67
TPSA78.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate (CID 67547246) is methyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate is COC(=O)CC1N=C(c2ccc3occc3c2)OC1=O.
What is the InChIKey of methyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate?
The InChIKey is LLODXGKRCXJBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-18-12(16)7-10-14(17)20-13(15-10)9-2-3-11-8(6-9)4-5-19-11/h2-6,10H,7H2,1H3.
What are the key properties of methyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate?
methyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate has a molecular weight of 273.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-benzofuran-5-yl)-5-oxo-4H-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 67547246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).