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

C10H4Cl2FNO2 — CID 123482569

IUPAC4-chloro-5-(4-chloro-3-fluorophenyl)-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1noc(-c2ccc(Cl)c(F)c2)c1Cl
InChIInChI=1S/C10H4Cl2FNO2/c11-6-2-1-5(3-7(6)13)10-9(12)8(4-15)14-16-10/h1-4H
InChIKeyPFDCASPXBAILKD-UHFFFAOYSA-N
MW260.05 g/mol
LogP3.60
Rot. Bonds2

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

4-chloro-5-(4-chloro-3-fluorophenyl)-1,2-oxazole-3-carbaldehyde (PubChem CID 123482569) has the molecular formula C10H4Cl2FNO2 and a molecular weight of 260.05 g/mol. Its IUPAC name is 4-chloro-5-(4-chloro-3-fluorophenyl)-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-5-(4-chloro-3-fluorophenyl)-1,2-oxazole-3-carbaldehyde
PubChem CID123482569
Molecular FormulaC10H4Cl2FNO2
Molecular Weight260.05 g/mol
Exact Mass258.96
IUPAC Name4-chloro-5-(4-chloro-3-fluorophenyl)-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1noc(-c2ccc(Cl)c(F)c2)c1Cl
InChIInChI=1S/C10H4Cl2FNO2/c11-6-2-1-5(3-7(6)13)10-9(12)8(4-15)14-16-10/h1-4H
InChIKeyPFDCASPXBAILKD-UHFFFAOYSA-N
XLogP3.60
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 53.60
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

3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde
CID 172653719
2-(4-chloro-3-fluorophenyl)benzaldehyde
CID 18357470
4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 25181774
2-(4-chloro-3-fluorophenyl)-1H-imidazole-5-carbaldehyde
CID 82391783
3-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 170771267
4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde
CID 83913589
N-[[5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 104879940
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 81492192
2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole
CID 107996197
1-[5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 104879923
2-(4-chloro-3-fluorophenyl)-4,4-dimethylcyclohexene-1-carbaldehyde
CID 90410164
3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole
CID 107989150

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-chloro-3-fluorophenyl)-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 4-chloro-5-(4-chloro-3-fluorophenyl)-1,2-oxazole-3-carbaldehyde (CID 123482569) is 4-chloro-5-(4-chloro-3-fluorophenyl)-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 4-chloro-5-(4-chloro-3-fluorophenyl)-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 4-chloro-5-(4-chloro-3-fluorophenyl)-1,2-oxazole-3-carbaldehyde is O=Cc1noc(-c2ccc(Cl)c(F)c2)c1Cl.
What is the InChIKey of 4-chloro-5-(4-chloro-3-fluorophenyl)-1,2-oxazole-3-carbaldehyde?
The InChIKey is PFDCASPXBAILKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2FNO2/c11-6-2-1-5(3-7(6)13)10-9(12)8(4-15)14-16-10/h1-4H.
What are the key properties of 4-chloro-5-(4-chloro-3-fluorophenyl)-1,2-oxazole-3-carbaldehyde?
4-chloro-5-(4-chloro-3-fluorophenyl)-1,2-oxazole-3-carbaldehyde has a molecular weight of 260.05 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-chloro-3-fluorophenyl)-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 123482569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).