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

C5H6F3NO2 — CID 43829391

IUPAC5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCC1(O)CC(C(F)(F)F)=NO1
InChIInChI=1S/C5H6F3NO2/c1-4(10)2-3(9-11-4)5(6,7)8/h10H,2H2,1H3
InChIKeyHAAKMPMEZQKHBS-UHFFFAOYSA-N
MW169.10 g/mol
LogP1.03
Rot. Bonds

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

5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 43829391) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID43829391
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCC1(O)CC(C(F)(F)F)=NO1
InChIInChI=1S/C5H6F3NO2/c1-4(10)2-3(9-11-4)5(6,7)8/h10H,2H2,1H3
InChIKeyHAAKMPMEZQKHBS-UHFFFAOYSA-N
XLogP1.03
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 43829391) is 5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol is CC1(O)CC(C(F)(F)F)=NO1.
What is the InChIKey of 5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is HAAKMPMEZQKHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO2/c1-4(10)2-3(9-11-4)5(6,7)8/h10H,2H2,1H3.
What are the key properties of 5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 169.10 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 43829391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).