4-[4-(trifluoromethyl)phenyl]-1,2-oxazole

C10H6F3NO — CID 132546175

IUPAC4-[4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2cnoc2)cc1
InChIInChI=1S/C10H6F3NO/c11-10(12,13)9-3-1-7(2-4-9)8-5-14-15-6-8/h1-6H
InChIKeyMEPJHONYDNAWBV-UHFFFAOYSA-N
MW213.16 g/mol
LogP3.36
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]-1,2-oxazole

4-[4-(trifluoromethyl)phenyl]-1,2-oxazole (PubChem CID 132546175) has the molecular formula C10H6F3NO and a molecular weight of 213.16 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-1,2-oxazole
PubChem CID132546175
Molecular FormulaC10H6F3NO
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name4-[4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(-c2cnoc2)cc1
InChIInChI=1S/C10H6F3NO/c11-10(12,13)9-3-1-7(2-4-9)8-5-14-15-6-8/h1-6H
InChIKeyMEPJHONYDNAWBV-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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1,2-oxazole (CID 132546175) is 4-[4-(trifluoromethyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-1,2-oxazole is FC(F)(F)c1ccc(-c2cnoc2)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The InChIKey is MEPJHONYDNAWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO/c11-10(12,13)9-3-1-7(2-4-9)8-5-14-15-6-8/h1-6H.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
4-[4-(trifluoromethyl)phenyl]-1,2-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 4-[4-(trifluoromethyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 132546175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).