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

C15H21NO2 — CID 102427119

IUPAC[(2R,3aS,7S)-3a-methyl-2-phenyl-2,3,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-yl]methanol
SMILESC[C@@]12CCC[C@@H](CO)N1O[C@@H](c1ccccc1)C2
InChIInChI=1S/C15H21NO2/c1-15-9-5-8-13(11-17)16(15)18-14(10-15)12-6-3-2-4-7-12/h2-4,6-7,13-14,17H,5,8-11H2,1H3/t13-,14+,15-/m0/s1
InChIKeyFVRHANKMYCLMFX-ZNMIVQPWSA-N
MW247.34 g/mol
LogP2.67
Rot. Bonds2

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

[(2R,3aS,7S)-3a-methyl-2-phenyl-2,3,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-yl]methanol (PubChem CID 102427119) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [(2R,3aS,7S)-3a-methyl-2-phenyl-2,3,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[(2R,3aS,7S)-3a-methyl-2-phenyl-2,3,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-yl]methanol
PubChem CID102427119
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[(2R,3aS,7S)-3a-methyl-2-phenyl-2,3,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-yl]methanol
SMILESC[C@@]12CCC[C@@H](CO)N1O[C@@H](c1ccccc1)C2
InChIInChI=1S/C15H21NO2/c1-15-9-5-8-13(11-17)16(15)18-14(10-15)12-6-3-2-4-7-12/h2-4,6-7,13-14,17H,5,8-11H2,1H3/t13-,14+,15-/m0/s1
InChIKeyFVRHANKMYCLMFX-ZNMIVQPWSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,7S)-3a-methyl-2-phenyl-2,3,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-yl]methanol?
The IUPAC name of [(2R,3aS,7S)-3a-methyl-2-phenyl-2,3,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-yl]methanol (CID 102427119) is [(2R,3aS,7S)-3a-methyl-2-phenyl-2,3,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-yl]methanol.
What is the SMILES notation for [(2R,3aS,7S)-3a-methyl-2-phenyl-2,3,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-yl]methanol?
The canonical SMILES for [(2R,3aS,7S)-3a-methyl-2-phenyl-2,3,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-yl]methanol is C[C@@]12CCC[C@@H](CO)N1O[C@@H](c1ccccc1)C2.
What is the InChIKey of [(2R,3aS,7S)-3a-methyl-2-phenyl-2,3,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-yl]methanol?
The InChIKey is FVRHANKMYCLMFX-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15-9-5-8-13(11-17)16(15)18-14(10-15)12-6-3-2-4-7-12/h2-4,6-7,13-14,17H,5,8-11H2,1H3/t13-,14+,15-/m0/s1.
What are the key properties of [(2R,3aS,7S)-3a-methyl-2-phenyl-2,3,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-yl]methanol?
[(2R,3aS,7S)-3a-methyl-2-phenyl-2,3,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-yl]methanol has a molecular weight of 247.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,7S)-3a-methyl-2-phenyl-2,3,4,5,6,7-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-yl]methanol is sourced from PubChem (CID 102427119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).