(5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole

C16H16N2O — CID 100988982

IUPAC(5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole
SMILESCC[C@]1(c2ccccc2)N=C(c2ccccc2)NO1
InChIInChI=1S/C16H16N2O/c1-2-16(14-11-7-4-8-12-14)17-15(18-19-16)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,17,18)/t16-/m0/s1
InChIKeyASLBZBHDGAZDCA-INIZCTEOSA-N
MW252.32 g/mol
LogP3.23
Rot. Bonds3

About (5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole

(5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole (PubChem CID 100988982) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole.

Molecular Properties

Compound Name(5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole
PubChem CID100988982
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole
SMILESCC[C@]1(c2ccccc2)N=C(c2ccccc2)NO1
InChIInChI=1S/C16H16N2O/c1-2-16(14-11-7-4-8-12-14)17-15(18-19-16)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,17,18)/t16-/m0/s1
InChIKeyASLBZBHDGAZDCA-INIZCTEOSA-N
XLogP3.23
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole 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 (5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole?
The IUPAC name of (5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole (CID 100988982) is (5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole.
What is the SMILES notation for (5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole?
The canonical SMILES for (5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole is CC[C@]1(c2ccccc2)N=C(c2ccccc2)NO1.
What is the InChIKey of (5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole?
The InChIKey is ASLBZBHDGAZDCA-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-16(14-11-7-4-8-12-14)17-15(18-19-16)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,17,18)/t16-/m0/s1.
What are the key properties of (5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole?
(5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole has a molecular weight of 252.32 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3,5-diphenyl-2H-1,2,4-oxadiazole is sourced from PubChem (CID 100988982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).