1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol

C6H7F3N2O2 — CID 162110208

IUPAC1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
SMILESCC(O)Cc1noc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N2O2/c1-3(12)2-4-10-5(13-11-4)6(7,8)9/h3,12H,2H2,1H3
InChIKeyFEUZTIUAUJIGGS-UHFFFAOYSA-N
MW196.13 g/mol
LogP1.01
Rot. Bonds2

About 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol

1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol (PubChem CID 162110208) has the molecular formula C6H7F3N2O2 and a molecular weight of 196.13 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
PubChem CID162110208
Molecular FormulaC6H7F3N2O2
Molecular Weight196.13 g/mol
Exact Mass196.05
IUPAC Name1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
SMILESCC(O)Cc1noc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N2O2/c1-3(12)2-4-10-5(13-11-4)6(7,8)9/h3,12H,2H2,1H3
InChIKeyFEUZTIUAUJIGGS-UHFFFAOYSA-N
XLogP1.01
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol?
The IUPAC name of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol (CID 162110208) is 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol is CC(O)Cc1noc(C(F)(F)F)n1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol?
The InChIKey is FEUZTIUAUJIGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2/c1-3(12)2-4-10-5(13-11-4)6(7,8)9/h3,12H,2H2,1H3.
What are the key properties of 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol?
1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol has a molecular weight of 196.13 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-ol is sourced from PubChem (CID 162110208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).