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

C7H9NO4 — CID 131330518

IUPACmethyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate
SMILESCOC(=O)C(C)c1cc(=O)[nH]o1
InChIInChI=1S/C7H9NO4/c1-4(7(10)11-2)5-3-6(9)8-12-5/h3-4H,1-2H3,(H,8,9)
InChIKeyFNMMPVDDYOJORK-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.24
Rot. Bonds2

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

methyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate (PubChem CID 131330518) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is methyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate
PubChem CID131330518
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Namemethyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate
SMILESCOC(=O)C(C)c1cc(=O)[nH]o1
InChIInChI=1S/C7H9NO4/c1-4(7(10)11-2)5-3-6(9)8-12-5/h3-4H,1-2H3,(H,8,9)
InChIKeyFNMMPVDDYOJORK-UHFFFAOYSA-N
XLogP0.24
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate?
The IUPAC name of methyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate (CID 131330518) is methyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate.
What is the SMILES notation for methyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate?
The canonical SMILES for methyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate is COC(=O)C(C)c1cc(=O)[nH]o1.
What is the InChIKey of methyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate?
The InChIKey is FNMMPVDDYOJORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-4(7(10)11-2)5-3-6(9)8-12-5/h3-4H,1-2H3,(H,8,9).
What are the key properties of methyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate?
methyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate has a molecular weight of 171.15 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate is sourced from PubChem (CID 131330518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).