3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole

C14H8F3NO — CID 690723

IUPAC3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C14H8F3NO/c15-14(16,17)13-8-12(18-19-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyVZEGAUWAAHRCCY-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.51
Rot. Bonds1

About 3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole

3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 690723) has the molecular formula C14H8F3NO and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole
PubChem CID690723
Molecular FormulaC14H8F3NO
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(-c2ccc3ccccc3c2)no1
InChIInChI=1S/C14H8F3NO/c15-14(16,17)13-8-12(18-19-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyVZEGAUWAAHRCCY-UHFFFAOYSA-N
XLogP4.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole (CID 690723) is 3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1cc(-c2ccc3ccccc3c2)no1.
What is the InChIKey of 3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is VZEGAUWAAHRCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO/c15-14(16,17)13-8-12(18-19-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H.
What are the key properties of 3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole?
3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 263.22 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 690723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).