(5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate

C6H5NO4 — CID 69346951

IUPAC(5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1N=CC(=O)O1
InChIInChI=1S/C6H5NO4/c1-2-4(8)10-6-7-3-5(9)11-6/h2-3,6H,1H2
InChIKeyLAWPVHBIQPMBJI-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.37
Rot. Bonds2

About (5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate

(5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate (PubChem CID 69346951) has the molecular formula C6H5NO4 and a molecular weight of 155.11 g/mol. Its IUPAC name is (5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate
PubChem CID69346951
Molecular FormulaC6H5NO4
Molecular Weight155.11 g/mol
Exact Mass155.02
IUPAC Name(5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1N=CC(=O)O1
InChIInChI=1S/C6H5NO4/c1-2-4(8)10-6-7-3-5(9)11-6/h2-3,6H,1H2
InChIKeyLAWPVHBIQPMBJI-UHFFFAOYSA-N
XLogP-0.37
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(6-oxooxan-2-yl) prop-2-enoate
CID 67204371
1,3-dioxol-2-yl prop-2-enoate
CID 140978089
7-oxabicyclo[4.1.0]hept-1-en-3-yl prop-2-enoate
CID 163516342
1-aminoethyl prop-2-enoate;furan-2,5-dione
CID 87091433
(5-ethyl-2-oxooxolan-3-yl) prop-2-enoate
CID 151484441
(4,5,5-trimethyl-2-oxooxolan-3-yl) prop-2-enoate
CID 66919881
(2,6-dioxooxan-3-yl) prop-2-enoate
CID 150861721
(6-oxooxan-3-yl) prop-2-enoate
CID 67203848
(2,5-dioxopyrrol-1-yl) prop-2-enoate
CID 87099539
[4-(iodomethyl)-5-methyl-2-oxooxolan-3-yl] prop-2-enoate
CID 166810428
CID 159294157
CID 159294157
(5-methyloxolan-2-yl) prop-2-enoate
CID 54024158

Frequently Asked Questions

What is the IUPAC name of (5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate?
The IUPAC name of (5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate (CID 69346951) is (5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate.
What is the SMILES notation for (5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate?
The canonical SMILES for (5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate is C=CC(=O)OC1N=CC(=O)O1.
What is the InChIKey of (5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate?
The InChIKey is LAWPVHBIQPMBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4/c1-2-4(8)10-6-7-3-5(9)11-6/h2-3,6H,1H2.
What are the key properties of (5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate?
(5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate has a molecular weight of 155.11 g/mol, XLogP of -0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-2H-1,3-oxazol-2-yl) prop-2-enoate is sourced from PubChem (CID 69346951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).