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

C26H35FN4O3 — CID 70856302

IUPAC1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone
SMILESCC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCC4)c(F)c3)CC2)n1
InChIInChI=1S/C26H35FN4O3/c1-17(2)25-28-26(34-29-25)31-11-6-18(7-12-31)22-14-19(22)8-13-33-21-5-4-20(23(27)16-21)15-24(32)30-9-3-10-30/h4-5,16-19,22H,3,6-15H2,1-2H3/t19-,22-/m1/s1
InChIKeyMKJAKFKVPAVBAI-DENIHFKCSA-N
MW470.59 g/mol
LogP4.43
Rot. Bonds9

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

1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone (PubChem CID 70856302) has the molecular formula C26H35FN4O3 and a molecular weight of 470.59 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone
PubChem CID70856302
Molecular FormulaC26H35FN4O3
Molecular Weight470.59 g/mol
Exact Mass470.27
IUPAC Name1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone
SMILESCC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCC4)c(F)c3)CC2)n1
InChIInChI=1S/C26H35FN4O3/c1-17(2)25-28-26(34-29-25)31-11-6-18(7-12-31)22-14-19(22)8-13-33-21-5-4-20(23(27)16-21)15-24(32)30-9-3-10-30/h4-5,16-19,22H,3,6-15H2,1-2H3/t19-,22-/m1/s1
InChIKeyMKJAKFKVPAVBAI-DENIHFKCSA-N
XLogP4.43
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(4-Ethoxyphenyl)-1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-YL]methyl}piperidin-1-YL)ethan-1-one
CID 91888755
4-{[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-YL]methyl}-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidine
CID 91906454
2-(3-Fluorophenyl)-1-(3-{5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-YL}azetidin-1-YL)ethan-1-one
CID 124042243
1-(4-{5-[(4-Fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidin-1-YL)-2-phenylethan-1-one
CID 124073861
3-(3-Methoxyphenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 72021543
2-(2-Fluorophenyl)-1-[3-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]ethanone
CID 124042258
5-[(4-Fluorophenoxy)methyl]-3-{1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]azetidin-3-YL}-1,2,4-oxadiazole
CID 124072771
2-(3-Fluorophenyl)-1-(4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidin-1-YL)ethan-1-one
CID 124073855
[1-(4-Methoxyphenyl)cyclopropyl]-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91918943
1-{[1-(4-Methoxyphenyl)cyclopropyl]carbonyl}-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
CID 91888839
1-Cyclohexyl-4-{5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}-2-pyrrolidinone
CID 91916911
2-(4-Ethoxyphenyl)-1-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-YL]piperidin-1-YL}ethan-1-one
CID 53191948

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone (CID 70856302) is 1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone is CC(C)c1noc(N2CCC([C@H]3C[C@H]3CCOc3ccc(CC(=O)N4CCC4)c(F)c3)CC2)n1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone?
The InChIKey is MKJAKFKVPAVBAI-DENIHFKCSA-N. The full InChI is InChI=1S/C26H35FN4O3/c1-17(2)25-28-26(34-29-25)31-11-6-18(7-12-31)22-14-19(22)8-13-33-21-5-4-20(23(27)16-21)15-24(32)30-9-3-10-30/h4-5,16-19,22H,3,6-15H2,1-2H3/t19-,22-/m1/s1.
What are the key properties of 1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone?
1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone has a molecular weight of 470.59 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone is sourced from PubChem (CID 70856302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).