5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde

C10H5ClFNO2 — CID 75359372

IUPAC5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1c(-c2cccc(F)c2)noc1Cl
InChIInChI=1S/C10H5ClFNO2/c11-10-8(5-14)9(13-15-10)6-2-1-3-7(12)4-6/h1-5H
InChIKeyIKUPKOIZIAGTAV-UHFFFAOYSA-N
MW225.61 g/mol
LogP2.95
Rot. Bonds2

About 5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde

5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde (PubChem CID 75359372) has the molecular formula C10H5ClFNO2 and a molecular weight of 225.61 g/mol. Its IUPAC name is 5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde
PubChem CID75359372
Molecular FormulaC10H5ClFNO2
Molecular Weight225.61 g/mol
Exact Mass225.00
IUPAC Name5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1c(-c2cccc(F)c2)noc1Cl
InChIInChI=1S/C10H5ClFNO2/c11-10-8(5-14)9(13-15-10)6-2-1-3-7(12)4-6/h1-5H
InChIKeyIKUPKOIZIAGTAV-UHFFFAOYSA-N
XLogP2.95
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.61
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde
CID 79072758
5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde
CID 75359365
5-chloro-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carbaldehyde
CID 131867531
4-chloro-5-(3-fluorophenyl)-2-methylpyrazole-3-carbaldehyde
CID 83912392
5-chloro-4-(3-fluorophenyl)-1,2-oxazole
CID 84667900
3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 82387243
5-(3-fluorophenyl)-2H-triazole-4-carbaldehyde
CID 82377894
2,5-bis(3-fluorophenyl)pyridine-3-carbaldehyde
CID 131870663
4-chloro-3-(3-fluorophenyl)benzaldehyde
CID 82106981
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83912649
5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 70981008

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde (CID 75359372) is 5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde is O=Cc1c(-c2cccc(F)c2)noc1Cl.
What is the InChIKey of 5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde?
The InChIKey is IKUPKOIZIAGTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO2/c11-10-8(5-14)9(13-15-10)6-2-1-3-7(12)4-6/h1-5H.
What are the key properties of 5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde?
5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde has a molecular weight of 225.61 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 75359372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).