[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate

C17H15NO5 — CID 27894078

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C17H15NO5/c1-12-5-2-3-6-14(12)21-11-17(19)22-10-13-9-16(23-18-13)15-7-4-8-20-15/h2-9H,10-11H2,1H3
InChIKeyAPAPBSLJRIOZHH-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.37
Rot. Bonds6

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate (PubChem CID 27894078) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate
PubChem CID27894078
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C17H15NO5/c1-12-5-2-3-6-14(12)21-11-17(19)22-10-13-9-16(23-18-13)15-7-4-8-20-15/h2-9H,10-11H2,1H3
InChIKeyAPAPBSLJRIOZHH-UHFFFAOYSA-N
XLogP3.37
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate (CID 27894078) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCc1cc(-c2ccco2)on1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate?
The InChIKey is APAPBSLJRIOZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-12-5-2-3-6-14(12)21-11-17(19)22-10-13-9-16(23-18-13)15-7-4-8-20-15/h2-9H,10-11H2,1H3.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate has a molecular weight of 313.31 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 27894078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).