3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C11H10F3NO3 — CID 3412289

IUPAC3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCc1ccc(O)c(C2=NOC(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C11H10F3NO3/c1-6-2-3-9(16)7(4-6)8-5-10(17,18-15-8)11(12,13)14/h2-4,16-17H,5H2,1H3
InChIKeyUTWVWFQRBRRSBQ-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.08
Rot. Bonds1

About 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 3412289) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID3412289
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCc1ccc(O)c(C2=NOC(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C11H10F3NO3/c1-6-2-3-9(16)7(4-6)8-5-10(17,18-15-8)11(12,13)14/h2-4,16-17H,5H2,1H3
InChIKeyUTWVWFQRBRRSBQ-UHFFFAOYSA-N
XLogP2.08
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1E)-1-(2,4-Dihydroxyphenyl)ethanone oxime
CID 135399628
5-Nonylsalicylaldoxime
CID 135478032
2,6-DI-Tert-butyl-4-[(1Z)-1-(hydroxyimino)ethyl]phenol
CID 135476867
3-(2-Hydroxy-5-methylphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4,5-dihydro-1,2-oxazol-5-ol
CID 2919229
5-(Difluoromethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-5-isoxazolol
CID 2848977
Flm 5011
CID 136029274
1-(2-Hydroxy-5-tert-nonylphenyl)ethan-1-one oxime
CID 94636
4'-Hydroxyacetophenone Oxime
CID 96522
Benzaldehyde, 5-dodecyl-2-hydroxy-, oxime
CID 135441937
2-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol
CID 136046116
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-hydroxyphenyl)phenol
CID 136180341
4-(3-fluoro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136180342

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 3412289) is 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is Cc1ccc(O)c(C2=NOC(O)(C(F)(F)F)C2)c1.
What is the InChIKey of 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is UTWVWFQRBRRSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c1-6-2-3-9(16)7(4-6)8-5-10(17,18-15-8)11(12,13)14/h2-4,16-17H,5H2,1H3.
What are the key properties of 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 261.20 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 3412289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).