prop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate

C8H11NO3 — CID 70025624

IUPACprop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate
SMILESC=CCOC(=O)CN1C=CCO1
InChIInChI=1S/C8H11NO3/c1-2-5-11-8(10)7-9-4-3-6-12-9/h2-4H,1,5-7H2
InChIKeyMEKBBUTXWOPNCC-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.48
Rot. Bonds4

About prop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate

prop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate (PubChem CID 70025624) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is prop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate
PubChem CID70025624
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameprop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate
SMILESC=CCOC(=O)CN1C=CCO1
InChIInChI=1S/C8H11NO3/c1-2-5-11-8(10)7-9-4-3-6-12-9/h2-4H,1,5-7H2
InChIKeyMEKBBUTXWOPNCC-UHFFFAOYSA-N
XLogP0.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate?
The IUPAC name of prop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate (CID 70025624) is prop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate.
What is the SMILES notation for prop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate?
The canonical SMILES for prop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate is C=CCOC(=O)CN1C=CCO1.
What is the InChIKey of prop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate?
The InChIKey is MEKBBUTXWOPNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-5-11-8(10)7-9-4-3-6-12-9/h2-4H,1,5-7H2.
What are the key properties of prop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate?
prop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate has a molecular weight of 169.18 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(5H-1,2-oxazol-2-yl)acetate is sourced from PubChem (CID 70025624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).