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

C10H5ClF3NO — CID 117258904

IUPAC5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1-c1ncc(Cl)o1
InChIInChI=1S/C10H5ClF3NO/c11-8-5-15-9(16-8)6-3-1-2-4-7(6)10(12,13)14/h1-5H
InChIKeyXEURBJWULRKMKX-UHFFFAOYSA-N
MW247.60 g/mol
LogP4.01
Rot. Bonds1

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

5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 117258904) has the molecular formula C10H5ClF3NO and a molecular weight of 247.60 g/mol. Its IUPAC name is 5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID117258904
Molecular FormulaC10H5ClF3NO
Molecular Weight247.60 g/mol
Exact Mass247.00
IUPAC Name5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1-c1ncc(Cl)o1
InChIInChI=1S/C10H5ClF3NO/c11-8-5-15-9(16-8)6-3-1-2-4-7(6)10(12,13)14/h1-5H
InChIKeyXEURBJWULRKMKX-UHFFFAOYSA-N
XLogP4.01
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.60
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 71227633
2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine
CID 118815216
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 15957134
2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole
CID 58230863
3,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134623597
2-(2-bromophenyl)-5-(trifluoromethyl)-1,3-oxazole
CID 141173140
2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 118998520
4-fluoro-3,5-bis[2-(trifluoromethyl)phenyl]pyridine
CID 133089510
2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine
CID 118997710
3-bromo-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 112571512
6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine
CID 146326550

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole (CID 117258904) is 5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole is FC(F)(F)c1ccccc1-c1ncc(Cl)o1.
What is the InChIKey of 5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is XEURBJWULRKMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO/c11-8-5-15-9(16-8)6-3-1-2-4-7(6)10(12,13)14/h1-5H.
What are the key properties of 5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 247.60 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 117258904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).