5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole

C20H18F2N2O2 — CID 134972210

IUPAC5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESFC(F)(C[C@@H]1C[C@H](c2ccccc2)CO1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H18F2N2O2/c21-20(22,19-23-18(24-26-19)15-9-5-2-6-10-15)12-17-11-16(13-25-17)14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-,17-/m0/s1
InChIKeyZTXKMEGYCXNJBX-IRXDYDNUSA-N
MW356.37 g/mol
LogP4.79
Rot. Bonds5

About 5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole

5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 134972210) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is 5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID134972210
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESFC(F)(C[C@@H]1C[C@H](c2ccccc2)CO1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H18F2N2O2/c21-20(22,19-23-18(24-26-19)15-9-5-2-6-10-15)12-17-11-16(13-25-17)14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-,17-/m0/s1
InChIKeyZTXKMEGYCXNJBX-IRXDYDNUSA-N
XLogP4.79
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole (CID 134972210) is 5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole is FC(F)(C[C@@H]1C[C@H](c2ccccc2)CO1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is ZTXKMEGYCXNJBX-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c21-20(22,19-23-18(24-26-19)15-9-5-2-6-10-15)12-17-11-16(13-25-17)14-7-3-1-4-8-14/h1-10,16-17H,11-13H2/t16-,17-/m0/s1.
What are the key properties of 5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole?
5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 356.37 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 134972210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).