[5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone

C21H26FN5O3 — CID 176862686

IUPAC[5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone
SMILESCC(C)(F)c1nc(-c2ccc(N3CC4CC3CN4C(=O)C3CCOCC3)nc2)no1
InChIInChI=1S/C21H26FN5O3/c1-21(2,22)20-24-18(25-30-20)14-3-4-17(23-10-14)26-11-16-9-15(26)12-27(16)19(28)13-5-7-29-8-6-13/h3-4,10,13,15-16H,5-9,11-12H2,1-2H3
InChIKeyDYPRVBQADDEPPI-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.55
Rot. Bonds4

About [5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone

[5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone (PubChem CID 176862686) has the molecular formula C21H26FN5O3 and a molecular weight of 415.47 g/mol. Its IUPAC name is [5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone
PubChem CID176862686
Molecular FormulaC21H26FN5O3
Molecular Weight415.47 g/mol
Exact Mass415.20
IUPAC Name[5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone
SMILESCC(C)(F)c1nc(-c2ccc(N3CC4CC3CN4C(=O)C3CCOCC3)nc2)no1
InChIInChI=1S/C21H26FN5O3/c1-21(2,22)20-24-18(25-30-20)14-3-4-17(23-10-14)26-11-16-9-15(26)12-27(16)19(28)13-5-7-29-8-6-13/h3-4,10,13,15-16H,5-9,11-12H2,1-2H3
InChIKeyDYPRVBQADDEPPI-UHFFFAOYSA-N
XLogP2.55
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone?
The IUPAC name of [5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone (CID 176862686) is [5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone is CC(C)(F)c1nc(-c2ccc(N3CC4CC3CN4C(=O)C3CCOCC3)nc2)no1.
What is the InChIKey of [5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone?
The InChIKey is DYPRVBQADDEPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O3/c1-21(2,22)20-24-18(25-30-20)14-3-4-17(23-10-14)26-11-16-9-15(26)12-27(16)19(28)13-5-7-29-8-6-13/h3-4,10,13,15-16H,5-9,11-12H2,1-2H3.
What are the key properties of [5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone?
[5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone has a molecular weight of 415.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 176862686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).