(3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

C19H15F3N4O2 — CID 68967446

IUPAC(3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCCC(c2noc(-c3ccc(F)cn3)n2)C1
InChIInChI=1S/C19H15F3N4O2/c20-13-4-6-16(23-9-13)18-24-17(25-28-18)12-2-1-7-26(10-12)19(27)11-3-5-14(21)15(22)8-11/h3-6,8-9,12H,1-2,7,10H2
InChIKeyRIDRZVBAGKUTSN-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.57
Rot. Bonds3

About (3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

(3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 68967446) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID68967446
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name(3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCCC(c2noc(-c3ccc(F)cn3)n2)C1
InChIInChI=1S/C19H15F3N4O2/c20-13-4-6-16(23-9-13)18-24-17(25-28-18)12-2-1-7-26(10-12)19(27)11-3-5-14(21)15(22)8-11/h3-6,8-9,12H,1-2,7,10H2
InChIKeyRIDRZVBAGKUTSN-UHFFFAOYSA-N
XLogP3.57
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-difluorophenyl)-[3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 68526656
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[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(3,4-difluorophenyl)methanone
CID 121092577
(3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124759582
(3,4-difluorophenyl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102318
(3,4-dimethoxyphenyl)-[(3R)-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 95094815
[3-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
CID 59140444
(4-fluoro-2-methylphenyl)-[3-[5-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone;(6-fluoro-3-pyridinyl)-[3-[5-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 158731136
(4-fluorophenyl)-[3-[5-[(1S)-1-phenylethyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 68522779
N-[4-[5-[(3S)-1-(3,4-difluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 92897424
(3-methyl-1,2-oxazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 16672677
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3,4-difluorophenyl)methanone
CID 83275772

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 68967446) is (3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCCC(c2noc(-c3ccc(F)cn3)n2)C1.
What is the InChIKey of (3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is RIDRZVBAGKUTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c20-13-4-6-16(23-9-13)18-24-17(25-28-18)12-2-1-7-26(10-12)19(27)11-3-5-14(21)15(22)8-11/h3-6,8-9,12H,1-2,7,10H2.
What are the key properties of (3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
(3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 388.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 68967446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).