3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole

C20H26F3N3O2 — CID 151124366

IUPAC3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc([C@@](C)(CC2CC2)N2C=C(C3CCC3)C(OCC(F)(F)F)=CC2)no1
InChIInChI=1S/C20H26F3N3O2/c1-13-24-18(25-28-13)19(2,10-14-6-7-14)26-9-8-17(27-12-20(21,22)23)16(11-26)15-4-3-5-15/h8,11,14-15H,3-7,9-10,12H2,1-2H3/t19-/m1/s1
InChIKeyMSWHOOSZUJJSNU-LJQANCHMSA-N
MW397.44 g/mol
LogP4.86
Rot. Bonds7

About 3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole

3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 151124366) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID151124366
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC Name3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc([C@@](C)(CC2CC2)N2C=C(C3CCC3)C(OCC(F)(F)F)=CC2)no1
InChIInChI=1S/C20H26F3N3O2/c1-13-24-18(25-28-13)19(2,10-14-6-7-14)26-9-8-17(27-12-20(21,22)23)16(11-26)15-4-3-5-15/h8,11,14-15H,3-7,9-10,12H2,1-2H3/t19-/m1/s1
InChIKeyMSWHOOSZUJJSNU-LJQANCHMSA-N
XLogP4.86
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole (CID 151124366) is 3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole is Cc1nc([C@@](C)(CC2CC2)N2C=C(C3CCC3)C(OCC(F)(F)F)=CC2)no1.
What is the InChIKey of 3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is MSWHOOSZUJJSNU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c1-13-24-18(25-28-13)19(2,10-14-6-7-14)26-9-8-17(27-12-20(21,22)23)16(11-26)15-4-3-5-15/h8,11,14-15H,3-7,9-10,12H2,1-2H3/t19-/m1/s1.
What are the key properties of 3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole?
3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 397.44 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[5-cyclobutyl-4-(2,2,2-trifluoroethoxy)-2H-pyridin-1-yl]-1-cyclopropylpropan-2-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 151124366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).