3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole

C18H19FN4O2 — CID 95275327

IUPAC3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1cc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)no1
InChIInChI=1S/C18H19FN4O2/c1-12-8-16(21-24-12)11-23-7-3-5-14(10-23)18-20-17(22-25-18)13-4-2-6-15(19)9-13/h2,4,6,8-9,14H,3,5,7,10-11H2,1H3/t14-/m0/s1
InChIKeyVLBPAQZBVDZDBC-AWEZNQCLSA-N
MW342.37 g/mol
LogP3.55
Rot. Bonds4

About 3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole

3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 95275327) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID95275327
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1cc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)no1
InChIInChI=1S/C18H19FN4O2/c1-12-8-16(21-24-12)11-23-7-3-5-14(10-23)18-20-17(22-25-18)13-4-2-6-15(19)9-13/h2,4,6,8-9,14H,3,5,7,10-11H2,1H3/t14-/m0/s1
InChIKeyVLBPAQZBVDZDBC-AWEZNQCLSA-N
XLogP3.55
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride
CID 119921304
[4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892557
1-[(3S)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 95161118
2-ethyl-1-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 52839769
N-carbamoyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 51105643
(3R)-N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 95283267
3-(3-fluorophenyl)-5-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133482714
tert-butyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 66618671
5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 45498643
5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 51613793
(3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide
CID 98731404
1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 56526377

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole (CID 95275327) is 3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole is Cc1cc(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)no1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is VLBPAQZBVDZDBC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-12-8-16(21-24-12)11-23-7-3-5-14(10-23)18-20-17(22-25-18)13-4-2-6-15(19)9-13/h2,4,6,8-9,14H,3,5,7,10-11H2,1H3/t14-/m0/s1.
What are the key properties of 3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 342.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95275327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).