[(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol

C14H19NO2 — CID 102523452

IUPAC[(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol
SMILESOC[C@@H]1CCN2O[C@H](c3ccccc3)C[C@H]2C1
InChIInChI=1S/C14H19NO2/c16-10-11-6-7-15-13(8-11)9-14(17-15)12-4-2-1-3-5-12/h1-5,11,13-14,16H,6-10H2/t11-,13-,14+/m1/s1
InChIKeyDSDOOVWFDDRRGF-BNOWGMLFSA-N
MW233.31 g/mol
LogP2.14
Rot. Bonds2

About [(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol

[(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol (PubChem CID 102523452) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol
PubChem CID102523452
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol
SMILESOC[C@@H]1CCN2O[C@H](c3ccccc3)C[C@H]2C1
InChIInChI=1S/C14H19NO2/c16-10-11-6-7-15-13(8-11)9-14(17-15)12-4-2-1-3-5-12/h1-5,11,13-14,16H,6-10H2/t11-,13-,14+/m1/s1
InChIKeyDSDOOVWFDDRRGF-BNOWGMLFSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol with MolForge

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Related Compounds

[(3R,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]methanol
CID 131042168
[(1'S,2R,3aS,7S)-2-phenylspiro[2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridine-7,2'-cyclopentane]-1'-yl]methanol
CID 139190168
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
3-phenyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c][1,3]oxazin-6-ol
CID 4033121
1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol
CID 174695572
2-[4-(hydroxymethyl)piperidin-1-yl]phenol
CID 71530927
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
[(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol
CID 176706114
[(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol
CID 26458344
4-fluoro-1-(2-phenyloxan-4-yl)piperidine
CID 68995810
3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 170887594
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933

Frequently Asked Questions

What is the IUPAC name of [(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol?
The IUPAC name of [(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol (CID 102523452) is [(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol.
What is the SMILES notation for [(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol?
The canonical SMILES for [(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol is OC[C@@H]1CCN2O[C@H](c3ccccc3)C[C@H]2C1.
What is the InChIKey of [(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol?
The InChIKey is DSDOOVWFDDRRGF-BNOWGMLFSA-N. The full InChI is InChI=1S/C14H19NO2/c16-10-11-6-7-15-13(8-11)9-14(17-15)12-4-2-1-3-5-12/h1-5,11,13-14,16H,6-10H2/t11-,13-,14+/m1/s1.
What are the key properties of [(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol?
[(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol has a molecular weight of 233.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aR,5R)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-5-yl]methanol is sourced from PubChem (CID 102523452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).