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

C8H12F3NO2 — CID 3764740

IUPAC3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCC(C)CC1=NOC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c1-5(2)3-6-4-7(13,14-12-6)8(9,10)11/h5,13H,3-4H2,1-2H3
InChIKeyDNFRNBVJXASVNP-UHFFFAOYSA-N
MW211.18 g/mol
LogP2.06
Rot. Bonds2

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

3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 3764740) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID3764740
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCC(C)CC1=NOC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c1-5(2)3-6-4-7(13,14-12-6)8(9,10)11/h5,13H,3-4H2,1-2H3
InChIKeyDNFRNBVJXASVNP-UHFFFAOYSA-N
XLogP2.06
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 3764740) is 3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is CC(C)CC1=NOC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is DNFRNBVJXASVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-5(2)3-6-4-7(13,14-12-6)8(9,10)11/h5,13H,3-4H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 211.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 3764740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).