(3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole

C22H20N2O — CID 135015006

IUPAC(3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole
SMILESC[C@H](c1ccccc1)N1OC(c2ccccc2)=N[C@@H]1c1ccccc1
InChIInChI=1S/C22H20N2O/c1-17(18-11-5-2-6-12-18)24-21(19-13-7-3-8-14-19)23-22(25-24)20-15-9-4-10-16-20/h2-17,21H,1H3/t17-,21+/m1/s1
InChIKeyMJFLFKDWMPFPBX-UTKZUKDTSA-N
MW328.42 g/mol
LogP5.14
Rot. Bonds4

About (3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole

(3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole (PubChem CID 135015006) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is (3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole.

Molecular Properties

Compound Name(3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole
PubChem CID135015006
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name(3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole
SMILESC[C@H](c1ccccc1)N1OC(c2ccccc2)=N[C@@H]1c1ccccc1
InChIInChI=1S/C22H20N2O/c1-17(18-11-5-2-6-12-18)24-21(19-13-7-3-8-14-19)23-22(25-24)20-15-9-4-10-16-20/h2-17,21H,1H3/t17-,21+/m1/s1
InChIKeyMJFLFKDWMPFPBX-UTKZUKDTSA-N
XLogP5.14
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole?
The IUPAC name of (3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole (CID 135015006) is (3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole.
What is the SMILES notation for (3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole?
The canonical SMILES for (3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole is C[C@H](c1ccccc1)N1OC(c2ccccc2)=N[C@@H]1c1ccccc1.
What is the InChIKey of (3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole?
The InChIKey is MJFLFKDWMPFPBX-UTKZUKDTSA-N. The full InChI is InChI=1S/C22H20N2O/c1-17(18-11-5-2-6-12-18)24-21(19-13-7-3-8-14-19)23-22(25-24)20-15-9-4-10-16-20/h2-17,21H,1H3/t17-,21+/m1/s1.
What are the key properties of (3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole?
(3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole has a molecular weight of 328.42 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5-diphenyl-2-[(1R)-1-phenylethyl]-3H-1,2,4-oxadiazole is sourced from PubChem (CID 135015006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).