5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde

C11H5ClF3NO2 — CID 131866781

IUPAC5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccccc2C(F)(F)F)noc1Cl
InChIInChI=1S/C11H5ClF3NO2/c12-10-7(5-17)9(16-18-10)6-3-1-2-4-8(6)11(13,14)15/h1-5H
InChIKeyXVDNFJCQHHBCOU-UHFFFAOYSA-N
MW275.61 g/mol
LogP3.83
Rot. Bonds2

About 5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde

5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde (PubChem CID 131866781) has the molecular formula C11H5ClF3NO2 and a molecular weight of 275.61 g/mol. Its IUPAC name is 5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde
PubChem CID131866781
Molecular FormulaC11H5ClF3NO2
Molecular Weight275.61 g/mol
Exact Mass275.00
IUPAC Name5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1c(-c2ccccc2C(F)(F)F)noc1Cl
InChIInChI=1S/C11H5ClF3NO2/c12-10-7(5-17)9(16-18-10)6-3-1-2-4-8(6)11(13,14)15/h1-5H
InChIKeyXVDNFJCQHHBCOU-UHFFFAOYSA-N
XLogP3.83
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.61
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080597
4-[2-(trifluoromethyl)phenyl]pyrimidine-5-carbaldehyde
CID 118818673
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 71227633
1-tert-butyl-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 43324225
2-(2,3-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 170837705
3,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134623597
1-[5-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]butan-1-one
CID 173416819
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde
CID 134617334
4-thiophen-2-yl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 62502729
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 97057770
2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134630807

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde (CID 131866781) is 5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde is O=Cc1c(-c2ccccc2C(F)(F)F)noc1Cl.
What is the InChIKey of 5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde?
The InChIKey is XVDNFJCQHHBCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NO2/c12-10-7(5-17)9(16-18-10)6-3-1-2-4-8(6)11(13,14)15/h1-5H.
What are the key properties of 5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde?
5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde has a molecular weight of 275.61 g/mol, XLogP of 3.83, 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-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 131866781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).