2,5-dihydro-1,2-oxazole-5-carbaldehyde

C4H5NO2 — CID 140755979

IUPAC2,5-dihydro-1,2-oxazole-5-carbaldehyde
SMILESO=CC1C=CNO1
InChIInChI=1S/C4H5NO2/c6-3-4-1-2-5-7-4/h1-5H
InChIKeySPZATACKRCKTNE-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.40
Rot. Bonds1

About 2,5-dihydro-1,2-oxazole-5-carbaldehyde

2,5-dihydro-1,2-oxazole-5-carbaldehyde (PubChem CID 140755979) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 2,5-dihydro-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name2,5-dihydro-1,2-oxazole-5-carbaldehyde
PubChem CID140755979
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name2,5-dihydro-1,2-oxazole-5-carbaldehyde
SMILESO=CC1C=CNO1
InChIInChI=1S/C4H5NO2/c6-3-4-1-2-5-7-4/h1-5H
InChIKeySPZATACKRCKTNE-UHFFFAOYSA-N
XLogP-0.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 2,5-dihydro-1,2-oxazole-5-carbaldehyde (CID 140755979) is 2,5-dihydro-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 2,5-dihydro-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 2,5-dihydro-1,2-oxazole-5-carbaldehyde is O=CC1C=CNO1.
What is the InChIKey of 2,5-dihydro-1,2-oxazole-5-carbaldehyde?
The InChIKey is SPZATACKRCKTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c6-3-4-1-2-5-7-4/h1-5H.
What are the key properties of 2,5-dihydro-1,2-oxazole-5-carbaldehyde?
2,5-dihydro-1,2-oxazole-5-carbaldehyde has a molecular weight of 99.09 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 140755979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).