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

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

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Related Compounds

methyl 2-amino-3-(1-benzofuran-5-yl)propanoate
CID 170883536
ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate
CID 71123831
methyl 2-(3-phenyl-2H-azirin-2-yl)acetate
CID 10773995
methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate
CID 15391031
1-(1-benzofuran-5-yl)ethanone;dimethyl carbonate;methyl 3-(1-benzofuran-5-yl)-3-oxopropanoate
CID 157051683
4-(2-methylsulfanylethyl)-2-[4-[4-(2-methylsulfanylethyl)-5-oxo-4H-1,3-oxazol-2-yl]phenyl]-4H-1,3-oxazol-5-one
CID 14529607
5-(1-benzofuran-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82387639
1-(1-benzofuran-5-yl)-3-fluoro-2-(methylamino)propan-1-one
CID 169069289
4-(1-benzofuran-5-yl)butan-2-one
CID 70511812
1,7-bis(1-benzofuran-5-yl)heptane-3,5-dione
CID 58234278
1-(1-benzofuran-5-yl)-4,4,4-trichloro-2-(methylamino)butan-1-one
CID 166892596
5-(1-benzofuran-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117357211

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).