ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate

C8H13NO3 — CID 23453463

IUPACethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate
SMILESCCOC(=O)CC1COC(C)=N1
InChIInChI=1S/C8H13NO3/c1-3-11-8(10)4-7-5-12-6(2)9-7/h7H,3-5H2,1-2H3
InChIKeyJHJUOCGJKHZAST-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.76
Rot. Bonds3

About ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate

ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate (PubChem CID 23453463) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate
PubChem CID23453463
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate
SMILESCCOC(=O)CC1COC(C)=N1
InChIInChI=1S/C8H13NO3/c1-3-11-8(10)4-7-5-12-6(2)9-7/h7H,3-5H2,1-2H3
InChIKeyJHJUOCGJKHZAST-UHFFFAOYSA-N
XLogP0.76
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate (CID 23453463) is ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate is CCOC(=O)CC1COC(C)=N1.
What is the InChIKey of ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate?
The InChIKey is JHJUOCGJKHZAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-11-8(10)4-7-5-12-6(2)9-7/h7H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate?
ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate has a molecular weight of 171.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 23453463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).