2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde

C5H3F2NO2 — CID 84762976

IUPAC2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde
SMILESO=Cc1coc(C(F)F)n1
InChIInChI=1S/C5H3F2NO2/c6-4(7)5-8-3(1-9)2-10-5/h1-2,4H
InChIKeyCBFCCJOICQIVPV-UHFFFAOYSA-N
MW147.08 g/mol
LogP1.42
Rot. Bonds2

About 2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde

2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde (PubChem CID 84762976) has the molecular formula C5H3F2NO2 and a molecular weight of 147.08 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde
PubChem CID84762976
Molecular FormulaC5H3F2NO2
Molecular Weight147.08 g/mol
Exact Mass147.01
IUPAC Name2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde
SMILESO=Cc1coc(C(F)F)n1
InChIInChI=1S/C5H3F2NO2/c6-4(7)5-8-3(1-9)2-10-5/h1-2,4H
InChIKeyCBFCCJOICQIVPV-UHFFFAOYSA-N
XLogP1.42
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.08
LogP ≤ 51.42
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 2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde (CID 84762976) is 2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde is O=Cc1coc(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde?
The InChIKey is CBFCCJOICQIVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NO2/c6-4(7)5-8-3(1-9)2-10-5/h1-2,4H.
What are the key properties of 2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde?
2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde has a molecular weight of 147.08 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 84762976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).