2-(1,3-oxazol-2-yl)pent-2-enal

C8H9NO2 — CID 57229630

IUPAC2-(1,3-oxazol-2-yl)pent-2-enal
SMILESCCC=C(C=O)c1ncco1
InChIInChI=1S/C8H9NO2/c1-2-3-7(6-10)8-9-4-5-11-8/h3-6H,2H2,1H3
InChIKeyAADDPWFVTWEFBT-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.67
Rot. Bonds3

About 2-(1,3-oxazol-2-yl)pent-2-enal

2-(1,3-oxazol-2-yl)pent-2-enal (PubChem CID 57229630) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)pent-2-enal.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)pent-2-enal
PubChem CID57229630
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-(1,3-oxazol-2-yl)pent-2-enal
SMILESCCC=C(C=O)c1ncco1
InChIInChI=1S/C8H9NO2/c1-2-3-7(6-10)8-9-4-5-11-8/h3-6H,2H2,1H3
InChIKeyAADDPWFVTWEFBT-UHFFFAOYSA-N
XLogP1.67
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-yl)pent-2-enal?
The IUPAC name of 2-(1,3-oxazol-2-yl)pent-2-enal (CID 57229630) is 2-(1,3-oxazol-2-yl)pent-2-enal.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)pent-2-enal?
The canonical SMILES for 2-(1,3-oxazol-2-yl)pent-2-enal is CCC=C(C=O)c1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-yl)pent-2-enal?
The InChIKey is AADDPWFVTWEFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-2-3-7(6-10)8-9-4-5-11-8/h3-6H,2H2,1H3.
What are the key properties of 2-(1,3-oxazol-2-yl)pent-2-enal?
2-(1,3-oxazol-2-yl)pent-2-enal has a molecular weight of 151.16 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)pent-2-enal is sourced from PubChem (CID 57229630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).