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

C7H9NO3 — CID 175056211

IUPAC(4-methyl-1,2-oxazol-3-yl) propanoate
SMILESCCC(=O)Oc1nocc1C
InChIInChI=1S/C7H9NO3/c1-3-6(9)11-7-5(2)4-10-8-7/h4H,3H2,1-2H3
InChIKeyFNXOVOMYSZGIPU-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.30
Rot. Bonds2

About (4-methyl-1,2-oxazol-3-yl) propanoate

(4-methyl-1,2-oxazol-3-yl) propanoate (PubChem CID 175056211) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (4-methyl-1,2-oxazol-3-yl) propanoate.

Molecular Properties

Compound Name(4-methyl-1,2-oxazol-3-yl) propanoate
PubChem CID175056211
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(4-methyl-1,2-oxazol-3-yl) propanoate
SMILESCCC(=O)Oc1nocc1C
InChIInChI=1S/C7H9NO3/c1-3-6(9)11-7-5(2)4-10-8-7/h4H,3H2,1-2H3
InChIKeyFNXOVOMYSZGIPU-UHFFFAOYSA-N
XLogP1.30
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,2-oxazol-3-yl) propanoate?
The IUPAC name of (4-methyl-1,2-oxazol-3-yl) propanoate (CID 175056211) is (4-methyl-1,2-oxazol-3-yl) propanoate.
What is the SMILES notation for (4-methyl-1,2-oxazol-3-yl) propanoate?
The canonical SMILES for (4-methyl-1,2-oxazol-3-yl) propanoate is CCC(=O)Oc1nocc1C.
What is the InChIKey of (4-methyl-1,2-oxazol-3-yl) propanoate?
The InChIKey is FNXOVOMYSZGIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-3-6(9)11-7-5(2)4-10-8-7/h4H,3H2,1-2H3.
What are the key properties of (4-methyl-1,2-oxazol-3-yl) propanoate?
(4-methyl-1,2-oxazol-3-yl) propanoate has a molecular weight of 155.15 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,2-oxazol-3-yl) propanoate is sourced from PubChem (CID 175056211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).