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

C10H6F3NO — CID 3458175

IUPAC5-[2-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1-c1cnco1
InChIInChI=1S/C10H6F3NO/c11-10(12,13)8-4-2-1-3-7(8)9-5-14-6-15-9/h1-6H
InChIKeyHQVBJOCFJBLGMY-UHFFFAOYSA-N
MW213.16 g/mol
LogP3.36
Rot. Bonds1

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

5-[2-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 3458175) has the molecular formula C10H6F3NO and a molecular weight of 213.16 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID3458175
Molecular FormulaC10H6F3NO
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name5-[2-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1-c1cnco1
InChIInChI=1S/C10H6F3NO/c11-10(12,13)8-4-2-1-3-7(8)9-5-14-6-15-9/h1-6H
InChIKeyHQVBJOCFJBLGMY-UHFFFAOYSA-N
XLogP3.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Diphenyloxazole
CID 7105
5-(4-Bromophenyl)-1,3-oxazole
CID 2776418
5-Phenyl oxazole
CID 589311
3-(1,3-Oxazol-5-yl)aniline
CID 2739289
5-(Naphthalen-2-yl)-1,3-oxazole
CID 11275595
2-Cyclohexyl-5-phenyloxazole
CID 87832
5-(4-Methylphenyl)-1,3-oxazole
CID 2739179
5-(3-Bromophenyl)-1,3-oxazole
CID 2795565
5-(4-Methoxyphenyl)-1,3-oxazole
CID 3270828
4-(5-Oxazolyl)benzylamine
CID 21930993
5-(2-Bromophenyl)-1,3-oxazole
CID 3780551
2-Methyl-5-Phenyl-1,3-Oxazole
CID 248491

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 5-[2-(trifluoromethyl)phenyl]-1,3-oxazole (CID 3458175) is 5-[2-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 5-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 5-[2-(trifluoromethyl)phenyl]-1,3-oxazole is FC(F)(F)c1ccccc1-c1cnco1.
What is the InChIKey of 5-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is HQVBJOCFJBLGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO/c11-10(12,13)8-4-2-1-3-7(8)9-5-14-6-15-9/h1-6H.
What are the key properties of 5-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
5-[2-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 213.16 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 3458175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).