ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate

C14H15NO4 — CID 902454

IUPACethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C)cc1-c1ccno1
InChIInChI=1S/C14H15NO4/c1-3-17-14(16)9-18-12-5-4-10(2)8-11(12)13-6-7-15-19-13/h4-8H,3,9H2,1-2H3
InChIKeyIROXPJHIHJFMKG-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.59
Rot. Bonds5

About ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate

ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate (PubChem CID 902454) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate
PubChem CID902454
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(C)cc1-c1ccno1
InChIInChI=1S/C14H15NO4/c1-3-17-14(16)9-18-12-5-4-10(2)8-11(12)13-6-7-15-19-13/h4-8H,3,9H2,1-2H3
InChIKeyIROXPJHIHJFMKG-UHFFFAOYSA-N
XLogP2.59
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate (CID 902454) is ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate is CCOC(=O)COc1ccc(C)cc1-c1ccno1.
What is the InChIKey of ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate?
The InChIKey is IROXPJHIHJFMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-17-14(16)9-18-12-5-4-10(2)8-11(12)13-6-7-15-19-13/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate?
ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate has a molecular weight of 261.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetate is sourced from PubChem (CID 902454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).