ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

C15H17NO4 — CID 705269

IUPACethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C15H17NO4/c1-4-18-15(17)12-5-7-13(8-6-12)19-9-14-10(2)16-20-11(14)3/h5-8H,4,9H2,1-3H3
InChIKeyJVJKKOMCHYRLNY-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.05
Rot. Bonds5

About ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 705269) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
PubChem CID705269
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C15H17NO4/c1-4-18-15(17)12-5-7-13(8-6-12)19-9-14-10(2)16-20-11(14)3/h5-8H,4,9H2,1-3H3
InChIKeyJVJKKOMCHYRLNY-UHFFFAOYSA-N
XLogP3.05
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 705269) is ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is CCOC(=O)c1ccc(OCc2c(C)noc2C)cc1.
What is the InChIKey of ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The InChIKey is JVJKKOMCHYRLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-18-15(17)12-5-7-13(8-6-12)19-9-14-10(2)16-20-11(14)3/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 275.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 705269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).