3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole

C19H19F2N3O2 — CID 139004160

IUPAC3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(Cc1ccccc1)c1nc(-c2cccnc2OCC(F)F)no1
InChIInChI=1S/C19H19F2N3O2/c1-19(2,11-13-7-4-3-5-8-13)18-23-16(24-26-18)14-9-6-10-22-17(14)25-12-15(20)21/h3-10,15H,11-12H2,1-2H3
InChIKeyGHJPUUSVTHYBRR-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.30
Rot. Bonds7

About 3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole

3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 139004160) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID139004160
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(Cc1ccccc1)c1nc(-c2cccnc2OCC(F)F)no1
InChIInChI=1S/C19H19F2N3O2/c1-19(2,11-13-7-4-3-5-8-13)18-23-16(24-26-18)14-9-6-10-22-17(14)25-12-15(20)21/h3-10,15H,11-12H2,1-2H3
InChIKeyGHJPUUSVTHYBRR-UHFFFAOYSA-N
XLogP4.30
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole (CID 139004160) is 3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole is CC(C)(Cc1ccccc1)c1nc(-c2cccnc2OCC(F)F)no1.
What is the InChIKey of 3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is GHJPUUSVTHYBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-19(2,11-13-7-4-3-5-8-13)18-23-16(24-26-18)14-9-6-10-22-17(14)25-12-15(20)21/h3-10,15H,11-12H2,1-2H3.
What are the key properties of 3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole?
3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 359.38 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-difluoroethoxy)-3-pyridinyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 139004160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).