2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone

C26H35FN4O4 — CID 66563578

IUPAC2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESCC(C)c1nc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CC(O)C4)c(F)c3)CC2)no1
InChIInChI=1S/C26H35FN4O4/c1-16(2)25-28-26(29-35-25)30-8-5-17(6-9-30)22-11-18(22)7-10-34-21-4-3-19(23(27)13-21)12-24(33)31-14-20(32)15-31/h3-4,13,16-18,20,22,32H,5-12,14-15H2,1-2H3/t18-,22-/m1/s1
InChIKeyMYURVPPFBQYQFX-XMSQKQJNSA-N
MW486.59 g/mol
LogP3.40
Rot. Bonds9

About 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone

2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 66563578) has the molecular formula C26H35FN4O4 and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone
PubChem CID66563578
Molecular FormulaC26H35FN4O4
Molecular Weight486.59 g/mol
Exact Mass486.26
IUPAC Name2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESCC(C)c1nc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CC(O)C4)c(F)c3)CC2)no1
InChIInChI=1S/C26H35FN4O4/c1-16(2)25-28-26(29-35-25)30-8-5-17(6-9-30)22-11-18(22)7-10-34-21-4-3-19(23(27)13-21)12-24(33)31-14-20(32)15-31/h3-4,13,16-18,20,22,32H,5-12,14-15H2,1-2H3/t18-,22-/m1/s1
InChIKeyMYURVPPFBQYQFX-XMSQKQJNSA-N
XLogP3.40
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone (CID 66563578) is 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone is CC(C)c1nc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CC(O)C4)c(F)c3)CC2)no1.
What is the InChIKey of 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is MYURVPPFBQYQFX-XMSQKQJNSA-N. The full InChI is InChI=1S/C26H35FN4O4/c1-16(2)25-28-26(29-35-25)30-8-5-17(6-9-30)22-11-18(22)7-10-34-21-4-3-19(23(27)13-21)12-24(33)31-14-20(32)15-31/h3-4,13,16-18,20,22,32H,5-12,14-15H2,1-2H3/t18-,22-/m1/s1.
What are the key properties of 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone?
2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 486.59 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1-(3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 66563578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).