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

C16H16N2O — CID 1202583

IUPAC(5S)-4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole
SMILESCN1C(c2ccccc2)=NO[C@@]1(C)c1ccccc1
InChIInChI=1S/C16H16N2O/c1-16(14-11-7-4-8-12-14)18(2)15(17-19-16)13-9-5-3-6-10-13/h3-12H,1-2H3/t16-/m0/s1
InChIKeyTXEAQKHSZUDTDA-INIZCTEOSA-N
MW252.32 g/mol
LogP3.18
Rot. Bonds2

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

(5S)-4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole (PubChem CID 1202583) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (5S)-4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name(5S)-4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole
PubChem CID1202583
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(5S)-4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole
SMILESCN1C(c2ccccc2)=NO[C@@]1(C)c1ccccc1
InChIInChI=1S/C16H16N2O/c1-16(14-11-7-4-8-12-14)18(2)15(17-19-16)13-9-5-3-6-10-13/h3-12H,1-2H3/t16-/m0/s1
InChIKeyTXEAQKHSZUDTDA-INIZCTEOSA-N
XLogP3.18
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole?
The IUPAC name of (5S)-4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole (CID 1202583) is (5S)-4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole.
What is the SMILES notation for (5S)-4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole?
The canonical SMILES for (5S)-4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole is CN1C(c2ccccc2)=NO[C@@]1(C)c1ccccc1.
What is the InChIKey of (5S)-4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole?
The InChIKey is TXEAQKHSZUDTDA-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16N2O/c1-16(14-11-7-4-8-12-14)18(2)15(17-19-16)13-9-5-3-6-10-13/h3-12H,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole?
(5S)-4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole has a molecular weight of 252.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4,5-dimethyl-3,5-diphenyl-1,2,4-oxadiazole is sourced from PubChem (CID 1202583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).