3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole

C17H22F3N3O2 — CID 152723725

IUPAC3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole
SMILESC[C@@H](Oc1cc(C2=CN(C(C)(C)C)NO2)ncc1C1CC1)C(F)(F)F
InChIInChI=1S/C17H22F3N3O2/c1-10(17(18,19)20)24-14-7-13(21-8-12(14)11-5-6-11)15-9-23(22-25-15)16(2,3)4/h7-11,22H,5-6H2,1-4H3/t10-/m1/s1
InChIKeyZWDWVCNWOIDYTR-SNVBAGLBSA-N
MW357.38 g/mol
LogP4.14
Rot. Bonds4

About 3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole

3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole (PubChem CID 152723725) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole
PubChem CID152723725
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole
SMILESC[C@@H](Oc1cc(C2=CN(C(C)(C)C)NO2)ncc1C1CC1)C(F)(F)F
InChIInChI=1S/C17H22F3N3O2/c1-10(17(18,19)20)24-14-7-13(21-8-12(14)11-5-6-11)15-9-23(22-25-15)16(2,3)4/h7-11,22H,5-6H2,1-4H3/t10-/m1/s1
InChIKeyZWDWVCNWOIDYTR-SNVBAGLBSA-N
XLogP4.14
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole (CID 152723725) is 3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole is C[C@@H](Oc1cc(C2=CN(C(C)(C)C)NO2)ncc1C1CC1)C(F)(F)F.
What is the InChIKey of 3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole?
The InChIKey is ZWDWVCNWOIDYTR-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-10(17(18,19)20)24-14-7-13(21-8-12(14)11-5-6-11)15-9-23(22-25-15)16(2,3)4/h7-11,22H,5-6H2,1-4H3/t10-/m1/s1.
What are the key properties of 3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole?
3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole has a molecular weight of 357.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[5-cyclopropyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-2-pyridinyl]-2H-oxadiazole is sourced from PubChem (CID 152723725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).