5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C15H20FN5O2 — CID 124874749

IUPAC5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CN2CCC[C@H](Oc3ncccc3F)C2)n1
InChIInChI=1S/C15H20FN5O2/c1-20(2)15-18-13(23-19-15)10-21-8-4-5-11(9-21)22-14-12(16)6-3-7-17-14/h3,6-7,11H,4-5,8-10H2,1-2H3/t11-/m0/s1
InChIKeyVHUVAQWWVVXTRH-NSHDSACASA-N
MW321.36 g/mol
LogP1.71
Rot. Bonds5

About 5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 124874749) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is 5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID124874749
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC Name5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CN2CCC[C@H](Oc3ncccc3F)C2)n1
InChIInChI=1S/C15H20FN5O2/c1-20(2)15-18-13(23-19-15)10-21-8-4-5-11(9-21)22-14-12(16)6-3-7-17-14/h3,6-7,11H,4-5,8-10H2,1-2H3/t11-/m0/s1
InChIKeyVHUVAQWWVVXTRH-NSHDSACASA-N
XLogP1.71
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine
CID 136537499
1-[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120849833
3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine
CID 120904219
(3R)-3-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]thiolane 1,1-dioxide
CID 124889925
2-cyclopentyloxy-3-fluoropyridine
CID 126955068
3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 92591772
5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 124624885
3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline
CID 136537189
N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine
CID 124625051
5-[[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 163352717
5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 100703946
5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 124624996

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 124874749) is 5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(CN2CCC[C@H](Oc3ncccc3F)C2)n1.
What is the InChIKey of 5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is VHUVAQWWVVXTRH-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-20(2)15-18-13(23-19-15)10-21-8-4-5-11(9-21)22-14-12(16)6-3-7-17-14/h3,6-7,11H,4-5,8-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 321.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 124874749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).