2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole

C7H11NO2 — CID 20523835

IUPAC2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole
SMILESC/C=C/COC1=NCCO1
InChIInChI=1S/C7H11NO2/c1-2-3-5-9-7-8-4-6-10-7/h2-3H,4-6H2,1H3/b3-2+
InChIKeyOBLOHLFZRFMBQO-NSCUHMNNSA-N
MW141.17 g/mol
LogP0.97
Rot. Bonds2

About 2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole

2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole (PubChem CID 20523835) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole
PubChem CID20523835
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole
SMILESC/C=C/COC1=NCCO1
InChIInChI=1S/C7H11NO2/c1-2-3-5-9-7-8-4-6-10-7/h2-3H,4-6H2,1H3/b3-2+
InChIKeyOBLOHLFZRFMBQO-NSCUHMNNSA-N
XLogP0.97
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole (CID 20523835) is 2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole is C/C=C/COC1=NCCO1.
What is the InChIKey of 2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole?
The InChIKey is OBLOHLFZRFMBQO-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-5-9-7-8-4-6-10-7/h2-3H,4-6H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole?
2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole has a molecular weight of 141.17 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 20523835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).