5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

C20H20F2N4O — CID 97020839

IUPAC5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESC[C@@H](c1ccc(F)cc1F)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C20H20F2N4O/c1-13(16-6-5-15(21)12-17(16)22)26-10-7-14(8-11-26)20-24-19(25-27-20)18-4-2-3-9-23-18/h2-6,9,12-14H,7-8,10-11H2,1H3/t13-/m0/s1
InChIKeyQAIVNQZZFORLMB-ZDUSSCGKSA-N
MW370.40 g/mol
LogP4.35
Rot. Bonds4

About 5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 97020839) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is 5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID97020839
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESC[C@@H](c1ccc(F)cc1F)N1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C20H20F2N4O/c1-13(16-6-5-15(21)12-17(16)22)26-10-7-14(8-11-26)20-24-19(25-27-20)18-4-2-3-9-23-18/h2-6,9,12-14H,7-8,10-11H2,1H3/t13-/m0/s1
InChIKeyQAIVNQZZFORLMB-ZDUSSCGKSA-N
XLogP4.35
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

(2R)-2-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870841
methyl (2R)-2-(2-chloro-6-fluorophenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate
CID 99782788
(2S)-N-(2-methoxyphenyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
CID 52522453
3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503538
3-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119870857
5-cyclopentyl-3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
CID 71088340
2-(methylamino)-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120704250
(4R)-1-(4-fluorophenyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41014921
(2-fluorophenyl)-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 110235442
2-(2,4-difluorophenyl)-1-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 96580293
3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 119870833
4-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]benzoic acid
CID 167763221

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 97020839) is 5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is C[C@@H](c1ccc(F)cc1F)N1CCC(c2nc(-c3ccccn3)no2)CC1.
What is the InChIKey of 5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is QAIVNQZZFORLMB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-13(16-6-5-15(21)12-17(16)22)26-10-7-14(8-11-26)20-24-19(25-27-20)18-4-2-3-9-23-18/h2-6,9,12-14H,7-8,10-11H2,1H3/t13-/m0/s1.
What are the key properties of 5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 370.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 97020839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).