(2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine

C20H23NO2 — CID 101467126

IUPAC(2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
SMILESc1ccc(CO[C@H]2CCCN3O[C@H](c4ccccc4)C[C@@H]23)cc1
InChIInChI=1S/C20H23NO2/c1-3-8-16(9-4-1)15-22-19-12-7-13-21-18(19)14-20(23-21)17-10-5-2-6-11-17/h1-6,8-11,18-20H,7,12-15H2/t18-,19-,20-/m0/s1
InChIKeyRHCXEHUFMWCHHW-UFYCRDLUSA-N
MW309.41 g/mol
LogP4.11
Rot. Bonds4

About (2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine

(2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine (PubChem CID 101467126) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine.

Molecular Properties

Compound Name(2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
PubChem CID101467126
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
SMILESc1ccc(CO[C@H]2CCCN3O[C@H](c4ccccc4)C[C@@H]23)cc1
InChIInChI=1S/C20H23NO2/c1-3-8-16(9-4-1)15-22-19-12-7-13-21-18(19)14-20(23-21)17-10-5-2-6-11-17/h1-6,8-11,18-20H,7,12-15H2/t18-,19-,20-/m0/s1
InChIKeyRHCXEHUFMWCHHW-UFYCRDLUSA-N
XLogP4.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine?
The IUPAC name of (2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine (CID 101467126) is (2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine.
What is the SMILES notation for (2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine?
The canonical SMILES for (2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine is c1ccc(CO[C@H]2CCCN3O[C@H](c4ccccc4)C[C@@H]23)cc1.
What is the InChIKey of (2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine?
The InChIKey is RHCXEHUFMWCHHW-UFYCRDLUSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-8-16(9-4-1)15-22-19-12-7-13-21-18(19)14-20(23-21)17-10-5-2-6-11-17/h1-6,8-11,18-20H,7,12-15H2/t18-,19-,20-/m0/s1.
What are the key properties of (2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine?
(2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine has a molecular weight of 309.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,4S)-2-phenyl-4-phenylmethoxy-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine is sourced from PubChem (CID 101467126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).