2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol

C13H16F2N2O2 — CID 167046719

IUPAC2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol
SMILESCN1C(c2ccc(C(C)(F)F)cc2)=NOC1CCO
InChIInChI=1S/C13H16F2N2O2/c1-13(14,15)10-5-3-9(4-6-10)12-16-19-11(7-8-18)17(12)2/h3-6,11,18H,7-8H2,1-2H3
InChIKeyWLHCERQFPGKLMI-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.13
Rot. Bonds4

About 2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol

2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 167046719) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID167046719
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol
SMILESCN1C(c2ccc(C(C)(F)F)cc2)=NOC1CCO
InChIInChI=1S/C13H16F2N2O2/c1-13(14,15)10-5-3-9(4-6-10)12-16-19-11(7-8-18)17(12)2/h3-6,11,18H,7-8H2,1-2H3
InChIKeyWLHCERQFPGKLMI-UHFFFAOYSA-N
XLogP2.13
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol 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 2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol (CID 167046719) is 2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol is CN1C(c2ccc(C(C)(F)F)cc2)=NOC1CCO.
What is the InChIKey of 2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is WLHCERQFPGKLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-13(14,15)10-5-3-9(4-6-10)12-16-19-11(7-8-18)17(12)2/h3-6,11,18H,7-8H2,1-2H3.
What are the key properties of 2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol?
2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 270.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-5H-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 167046719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).