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

C8H11NO3 — CID 86014949

IUPACmethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate
SMILESCOC(=O)CCc1ncc(C)o1
InChIInChI=1S/C8H11NO3/c1-6-5-9-7(12-6)3-4-8(10)11-2/h5H,3-4H2,1-2H3
InChIKeyDKEJUQWIBRIOSH-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.09
Rot. Bonds3

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

methyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate (PubChem CID 86014949) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate
PubChem CID86014949
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namemethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate
SMILESCOC(=O)CCc1ncc(C)o1
InChIInChI=1S/C8H11NO3/c1-6-5-9-7(12-6)3-4-8(10)11-2/h5H,3-4H2,1-2H3
InChIKeyDKEJUQWIBRIOSH-UHFFFAOYSA-N
XLogP1.09
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate?
The IUPAC name of methyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate (CID 86014949) is methyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate.
What is the SMILES notation for methyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate?
The canonical SMILES for methyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate is COC(=O)CCc1ncc(C)o1.
What is the InChIKey of methyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate?
The InChIKey is DKEJUQWIBRIOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6-5-9-7(12-6)3-4-8(10)11-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate?
methyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate has a molecular weight of 169.18 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate is sourced from PubChem (CID 86014949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).