[(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol

C22H25N3O2 — CID 11523409

IUPAC[(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol
SMILESCc1nc(-c2ccc(-c3ccc(CN4CCCC[C@H]4CO)cc3)cc2)no1
InChIInChI=1S/C22H25N3O2/c1-16-23-22(24-27-16)20-11-9-19(10-12-20)18-7-5-17(6-8-18)14-25-13-3-2-4-21(25)15-26/h5-12,21,26H,2-4,13-15H2,1H3/t21-/m0/s1
InChIKeyIWXWETFAQLEPOW-NRFANRHFSA-N
MW363.46 g/mol
LogP4.06
Rot. Bonds5

About [(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol

[(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol (PubChem CID 11523409) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is [(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol
PubChem CID11523409
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name[(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol
SMILESCc1nc(-c2ccc(-c3ccc(CN4CCCC[C@H]4CO)cc3)cc2)no1
InChIInChI=1S/C22H25N3O2/c1-16-23-22(24-27-16)20-11-9-19(10-12-20)18-7-5-17(6-8-18)14-25-13-3-2-4-21(25)15-26/h5-12,21,26H,2-4,13-15H2,1H3/t21-/m0/s1
InChIKeyIWXWETFAQLEPOW-NRFANRHFSA-N
XLogP4.06
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol with MolForge

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Related Compounds

5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 11681282
[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 60684976
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274
[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62046532
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
[(2S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methanol
CID 94145485
N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 61406545
[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol
CID 60685146
4-[[(2R)-2-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86319149
2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 62020461
[(2S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 42127618
N-[[(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 51937010

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol (CID 11523409) is [(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol is Cc1nc(-c2ccc(-c3ccc(CN4CCCC[C@H]4CO)cc3)cc2)no1.
What is the InChIKey of [(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol?
The InChIKey is IWXWETFAQLEPOW-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-23-22(24-27-16)20-11-9-19(10-12-20)18-7-5-17(6-8-18)14-25-13-3-2-4-21(25)15-26/h5-12,21,26H,2-4,13-15H2,1H3/t21-/m0/s1.
What are the key properties of [(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol?
[(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol has a molecular weight of 363.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 11523409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).