ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate

C9H13NO3 — CID 134997222

IUPACethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate
SMILESCCOC(=O)CCc1ncc(C)o1
InChIInChI=1S/C9H13NO3/c1-3-12-9(11)5-4-8-10-6-7(2)13-8/h6H,3-5H2,1-2H3
InChIKeyZPYZARROQZHECA-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.48
Rot. Bonds4

About ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate

ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate (PubChem CID 134997222) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate
PubChem CID134997222
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nameethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate
SMILESCCOC(=O)CCc1ncc(C)o1
InChIInChI=1S/C9H13NO3/c1-3-12-9(11)5-4-8-10-6-7(2)13-8/h6H,3-5H2,1-2H3
InChIKeyZPYZARROQZHECA-UHFFFAOYSA-N
XLogP1.48
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate?
The IUPAC name of ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate (CID 134997222) is ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate?
The canonical SMILES for ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate is CCOC(=O)CCc1ncc(C)o1.
What is the InChIKey of ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate?
The InChIKey is ZPYZARROQZHECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-12-9(11)5-4-8-10-6-7(2)13-8/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate?
ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate has a molecular weight of 183.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate is sourced from PubChem (CID 134997222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).