4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde

C11H6F3NO2S — CID 106926357

IUPAC4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(Sc2ncco2)cc1C(F)(F)F
InChIInChI=1S/C11H6F3NO2S/c12-11(13,14)9-5-8(2-1-7(9)6-16)18-10-15-3-4-17-10/h1-6H
InChIKeyCJDUOTLGAYLNTJ-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.66
Rot. Bonds3

About 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde

4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde (PubChem CID 106926357) has the molecular formula C11H6F3NO2S and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde
PubChem CID106926357
Molecular FormulaC11H6F3NO2S
Molecular Weight273.24 g/mol
Exact Mass273.01
IUPAC Name4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(Sc2ncco2)cc1C(F)(F)F
InChIInChI=1S/C11H6F3NO2S/c12-11(13,14)9-5-8(2-1-7(9)6-16)18-10-15-3-4-17-10/h1-6H
InChIKeyCJDUOTLGAYLNTJ-UHFFFAOYSA-N
XLogP3.66
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzaldehyde
CID 106926334
4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 106922802
2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde
CID 106926336
4-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)benzaldehyde
CID 10870668
4-benzylsulfanyl-2-(trifluoromethyl)benzaldehyde
CID 79018032
5-nitro-2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde
CID 106926348
[2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine
CID 106923671
2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106921446
4-methylsulfonyl-2-(trifluoromethyl)benzaldehyde
CID 51342018
5-(1,3-oxazol-2-ylsulfanyl)pyridine-2-carboxylic acid
CID 106921080
4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde
CID 139026919
3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921372

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde (CID 106926357) is 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde is O=Cc1ccc(Sc2ncco2)cc1C(F)(F)F.
What is the InChIKey of 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde?
The InChIKey is CJDUOTLGAYLNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO2S/c12-11(13,14)9-5-8(2-1-7(9)6-16)18-10-15-3-4-17-10/h1-6H.
What are the key properties of 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde?
4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde has a molecular weight of 273.24 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 106926357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).