2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde

C10H11NO3 — CID 142942771

IUPAC2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde
SMILESC=Cc1c(/C=C\C)oc(=O)n1CC=O
InChIInChI=1S/C10H11NO3/c1-3-5-9-8(4-2)11(6-7-12)10(13)14-9/h3-5,7H,2,6H2,1H3/b5-3-
InChIKeyUJFJCKWOODKZQH-HYXAFXHYSA-N
MW193.20 g/mol
LogP1.32
Rot. Bonds4

About 2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde

2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde (PubChem CID 142942771) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde
PubChem CID142942771
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde
SMILESC=Cc1c(/C=C\C)oc(=O)n1CC=O
InChIInChI=1S/C10H11NO3/c1-3-5-9-8(4-2)11(6-7-12)10(13)14-9/h3-5,7H,2,6H2,1H3/b5-3-
InChIKeyUJFJCKWOODKZQH-HYXAFXHYSA-N
XLogP1.32
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde?
The IUPAC name of 2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde (CID 142942771) is 2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde.
What is the SMILES notation for 2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde?
The canonical SMILES for 2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde is C=Cc1c(/C=C\C)oc(=O)n1CC=O.
What is the InChIKey of 2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde?
The InChIKey is UJFJCKWOODKZQH-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-3-5-9-8(4-2)11(6-7-12)10(13)14-9/h3-5,7H,2,6H2,1H3/b5-3-.
What are the key properties of 2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde?
2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde has a molecular weight of 193.20 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethenyl-2-oxo-5-[(Z)-prop-1-enyl]-1,3-oxazol-3-yl]acetaldehyde is sourced from PubChem (CID 142942771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).