(3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol

C16H20FN3O2 — CID 98762941

IUPAC(3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol
SMILESCc1ccc(-c2noc([C@@H](C)N3CCC[C@@H](O)C3)n2)cc1F
InChIInChI=1S/C16H20FN3O2/c1-10-5-6-12(8-14(10)17)15-18-16(22-19-15)11(2)20-7-3-4-13(21)9-20/h5-6,8,11,13,21H,3-4,7,9H2,1-2H3/t11-,13-/m1/s1
InChIKeyMWVUPNLGYHWFGI-DGCLKSJQSA-N
MW305.35 g/mol
LogP2.70
Rot. Bonds3

About (3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol

(3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol (PubChem CID 98762941) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is (3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol
PubChem CID98762941
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name(3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol
SMILESCc1ccc(-c2noc([C@@H](C)N3CCC[C@@H](O)C3)n2)cc1F
InChIInChI=1S/C16H20FN3O2/c1-10-5-6-12(8-14(10)17)15-18-16(22-19-15)11(2)20-7-3-4-13(21)9-20/h5-6,8,11,13,21H,3-4,7,9H2,1-2H3/t11-,13-/m1/s1
InChIKeyMWVUPNLGYHWFGI-DGCLKSJQSA-N
XLogP2.70
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol with MolForge

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Related Compounds

1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol
CID 110892569
(8aS)-7-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 98773637
3-(3-fluoro-4-methylphenyl)-5-[(1R)-1-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 124813130
3-(3-fluoro-4-methylphenyl)-5-[(1R)-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 51964703
3-(3-fluoro-4-methylphenyl)-5-[(1S)-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 51964705
(3S,4R)-1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761882
3-(3-fluoro-4-methylphenyl)-5-[(1S)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
CID 99821665
1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55816708
3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 126771667
3-(3-fluoro-4-methylphenyl)-5-[(1S)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 99823662
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 71756178
4-[1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]phenol
CID 78898660

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol (CID 98762941) is (3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol is Cc1ccc(-c2noc([C@@H](C)N3CCC[C@@H](O)C3)n2)cc1F.
What is the InChIKey of (3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol?
The InChIKey is MWVUPNLGYHWFGI-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-10-5-6-12(8-14(10)17)15-18-16(22-19-15)11(2)20-7-3-4-13(21)9-20/h5-6,8,11,13,21H,3-4,7,9H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of (3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol?
(3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol has a molecular weight of 305.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol is sourced from PubChem (CID 98762941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).