[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone

C18H20FN3O2 — CID 100660192

IUPAC[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESC[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C18H20FN3O2/c1-11-9-14(11)18(23)22-8-3-2-7-15(22)17-20-16(21-24-17)12-5-4-6-13(19)10-12/h4-6,10-11,14-15H,2-3,7-9H2,1H3/t11-,14-,15-/m1/s1
InChIKeyPJSAADSQEUTVMJ-KCPJHIHWSA-N
MW329.38 g/mol
LogP3.59
Rot. Bonds3

About [(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone

[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone (PubChem CID 100660192) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is [(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
PubChem CID100660192
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESC[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C18H20FN3O2/c1-11-9-14(11)18(23)22-8-3-2-7-15(22)17-20-16(21-24-17)12-5-4-6-13(19)10-12/h4-6,10-11,14-15H,2-3,7-9H2,1H3/t11-,14-,15-/m1/s1
InChIKeyPJSAADSQEUTVMJ-KCPJHIHWSA-N
XLogP3.59
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 812405
(2R)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057703
(2S)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057702
(2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7295920
(2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 95057715
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 5001867
[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813050
[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813048
cyclopropyl-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 42760653
2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 95104324
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 42765296
(3-fluorophenyl)-[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 7236954

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The IUPAC name of [(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone (CID 100660192) is [(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone.
What is the SMILES notation for [(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The canonical SMILES for [(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone is C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of [(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The InChIKey is PJSAADSQEUTVMJ-KCPJHIHWSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-11-9-14(11)18(23)22-8-3-2-7-15(22)17-20-16(21-24-17)12-5-4-6-13(19)10-12/h4-6,10-11,14-15H,2-3,7-9H2,1H3/t11-,14-,15-/m1/s1.
What are the key properties of [(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone has a molecular weight of 329.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 100660192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).