[(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol

C20H28N2O2 — CID 166306770

IUPAC[(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol
SMILESCC(C)(C)[C@@H]1C[C@H](CO)CN(Cc2cccc(-c3cnco3)c2)C1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)18-8-16(13-23)11-22(12-18)10-15-5-4-6-17(7-15)19-9-21-14-24-19/h4-7,9,14,16,18,23H,8,10-13H2,1-3H3/t16-,18+/m0/s1
InChIKeyYJXLTNYIDIXDAS-FUHWJXTLSA-N
MW328.46 g/mol
LogP3.82
Rot. Bonds4

About [(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol

[(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol (PubChem CID 166306770) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol
PubChem CID166306770
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name[(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol
SMILESCC(C)(C)[C@@H]1C[C@H](CO)CN(Cc2cccc(-c3cnco3)c2)C1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)18-8-16(13-23)11-22(12-18)10-15-5-4-6-17(7-15)19-9-21-14-24-19/h4-7,9,14,16,18,23H,8,10-13H2,1-3H3/t16-,18+/m0/s1
InChIKeyYJXLTNYIDIXDAS-FUHWJXTLSA-N
XLogP3.82
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[3-(1,3-oxazol-5-yl)phenyl]methanol
CID 54312387
5-[3-(bromomethyl)phenyl]-1,3-oxazole
CID 68549202
3-tert-butyl-1-[(3-chlorophenyl)methyl]azetidine
CID 164927220
3-[(3-tert-butylazetidin-1-yl)methyl]aniline
CID 79689119
4-[[5-[4-[3-(1,3-oxazol-5-yl)phenyl]naphthalen-1-yl]-2-pyridinyl]methyl]morpholine
CID 91211472
[3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol
CID 104549638
N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide
CID 164639309
N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62438146
1-[3-(1,3-oxazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168692194
N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline
CID 54865172
[4-[(3-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935440
[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane
CID 142827331

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol (CID 166306770) is [(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol is CC(C)(C)[C@@H]1C[C@H](CO)CN(Cc2cccc(-c3cnco3)c2)C1.
What is the InChIKey of [(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol?
The InChIKey is YJXLTNYIDIXDAS-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-20(2,3)18-8-16(13-23)11-22(12-18)10-15-5-4-6-17(7-15)19-9-21-14-24-19/h4-7,9,14,16,18,23H,8,10-13H2,1-3H3/t16-,18+/m0/s1.
What are the key properties of [(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol?
[(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol has a molecular weight of 328.46 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-tert-butyl-1-[[3-(1,3-oxazol-5-yl)phenyl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 166306770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).