4-chloro-1,2-oxazole-3-carbaldehyde

C4H2ClNO2 — CID 82418684

IUPAC4-chloro-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1nocc1Cl
InChIInChI=1S/C4H2ClNO2/c5-3-2-8-6-4(3)1-7/h1-2H
InChIKeyBFJJEXNGXMSYHI-UHFFFAOYSA-N
MW131.52 g/mol
LogP1.14
Rot. Bonds1

About 4-chloro-1,2-oxazole-3-carbaldehyde

4-chloro-1,2-oxazole-3-carbaldehyde (PubChem CID 82418684) has the molecular formula C4H2ClNO2 and a molecular weight of 131.52 g/mol. Its IUPAC name is 4-chloro-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-1,2-oxazole-3-carbaldehyde
PubChem CID82418684
Molecular FormulaC4H2ClNO2
Molecular Weight131.52 g/mol
Exact Mass130.98
IUPAC Name4-chloro-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1nocc1Cl
InChIInChI=1S/C4H2ClNO2/c5-3-2-8-6-4(3)1-7/h1-2H
InChIKeyBFJJEXNGXMSYHI-UHFFFAOYSA-N
XLogP1.14
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.52
LogP ≤ 51.14
H-Bond Donors ≤ 50
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 4-chloro-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 4-chloro-1,2-oxazole-3-carbaldehyde (CID 82418684) is 4-chloro-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 4-chloro-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 4-chloro-1,2-oxazole-3-carbaldehyde is O=Cc1nocc1Cl.
What is the InChIKey of 4-chloro-1,2-oxazole-3-carbaldehyde?
The InChIKey is BFJJEXNGXMSYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClNO2/c5-3-2-8-6-4(3)1-7/h1-2H.
What are the key properties of 4-chloro-1,2-oxazole-3-carbaldehyde?
4-chloro-1,2-oxazole-3-carbaldehyde has a molecular weight of 131.52 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 82418684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).