3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C14H10F3NO2 — CID 2742980

IUPAC3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NO1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)13(19)8-12(18-20-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,19H,8H2
InChIKeyLWSREXGTQFTMKI-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.22
Rot. Bonds1

About 3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 2742980) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID2742980
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NO1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)13(19)8-12(18-20-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,19H,8H2
InChIKeyLWSREXGTQFTMKI-UHFFFAOYSA-N
XLogP3.22
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 690721
3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 67362753
(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1364720
3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 2881249
3-[4-(1H-indol-6-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413452
3-(4-pyrimidin-5-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 142608931
3-[4-(N-hydroxy-C-phenylcarbonimidoyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155744087
4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]benzaldehyde
CID 155412938
3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 143608209
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]quinoline-2-carboxamide
CID 59652607
1-benzyl-3-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652464
3-[4-(hydroxyiminomethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155744100

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 2742980) is 3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NO1.
What is the InChIKey of 3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is LWSREXGTQFTMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)13(19)8-12(18-20-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,19H,8H2.
What are the key properties of 3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 281.23 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 2742980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).