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

C10H3ClF3NO2 — CID 131867531

IUPAC5-chloro-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1c(-c2cc(F)c(F)cc2F)noc1Cl
InChIInChI=1S/C10H3ClF3NO2/c11-10-5(3-16)9(15-17-10)4-1-7(13)8(14)2-6(4)12/h1-3H
InChIKeyCDASCJMZPCWYCL-UHFFFAOYSA-N
MW261.59 g/mol
LogP3.22
Rot. Bonds2

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

5-chloro-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carbaldehyde (PubChem CID 131867531) has the molecular formula C10H3ClF3NO2 and a molecular weight of 261.59 g/mol. Its IUPAC name is 5-chloro-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carbaldehyde
PubChem CID131867531
Molecular FormulaC10H3ClF3NO2
Molecular Weight261.59 g/mol
Exact Mass260.98
IUPAC Name5-chloro-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1c(-c2cc(F)c(F)cc2F)noc1Cl
InChIInChI=1S/C10H3ClF3NO2/c11-10-5(3-16)9(15-17-10)4-1-7(13)8(14)2-6(4)12/h1-3H
InChIKeyCDASCJMZPCWYCL-UHFFFAOYSA-N
XLogP3.22
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.59
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde
CID 131866966
5-chloro-3-(3-fluorophenyl)-1,2-oxazole-4-carbaldehyde
CID 75359372
5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde
CID 131866781
5-chloro-3-(4-methylphenyl)-1,2-oxazole-4-carbaldehyde
CID 75359365
5-ethyl-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 114058122
3-[5-chloro-1-ethyl-6-oxo-2-(2,4,6-trifluorophenyl)-3-pyridinyl]-5-methyl-1,2-oxazole-4-carbaldehyde
CID 142496601
1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene
CID 58769561
2-fluoro-5-(2,4,5-trifluorophenyl)benzaldehyde
CID 115503115
3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol
CID 165444068
3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 164823176
2,3-dichloro-5-fluoroterephthalaldehyde
CID 87294892
2-chloro-4,6-difluorobenzaldehyde
CID 88504235

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carbaldehyde (CID 131867531) is 5-chloro-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carbaldehyde is O=Cc1c(-c2cc(F)c(F)cc2F)noc1Cl.
What is the InChIKey of 5-chloro-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carbaldehyde?
The InChIKey is CDASCJMZPCWYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3ClF3NO2/c11-10-5(3-16)9(15-17-10)4-1-7(13)8(14)2-6(4)12/h1-3H.
What are the key properties of 5-chloro-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carbaldehyde?
5-chloro-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carbaldehyde has a molecular weight of 261.59 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,4,5-trifluorophenyl)-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 131867531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).