(1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol

C20H23NO3 — CID 11954797

IUPAC(1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol
SMILESO[C@@H]1[C@@H]2OC[C@H]1N(Cc1ccccc1)C[C@@H]2OCc1ccccc1
InChIInChI=1S/C20H23NO3/c22-19-17-14-24-20(19)18(23-13-16-9-5-2-6-10-16)12-21(17)11-15-7-3-1-4-8-15/h1-10,17-20,22H,11-14H2/t17-,18+,19+,20-/m1/s1
InChIKeySUMHFSHJVNLNTA-FUMNGEBKSA-N
MW325.41 g/mol
LogP2.22
Rot. Bonds5

About (1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol

(1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol (PubChem CID 11954797) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name(1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol
PubChem CID11954797
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol
SMILESO[C@@H]1[C@@H]2OC[C@H]1N(Cc1ccccc1)C[C@@H]2OCc1ccccc1
InChIInChI=1S/C20H23NO3/c22-19-17-14-24-20(19)18(23-13-16-9-5-2-6-10-16)12-21(17)11-15-7-3-1-4-8-15/h1-10,17-20,22H,11-14H2/t17-,18+,19+,20-/m1/s1
InChIKeySUMHFSHJVNLNTA-FUMNGEBKSA-N
XLogP2.22
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol?
The IUPAC name of (1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol (CID 11954797) is (1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for (1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for (1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol is O[C@@H]1[C@@H]2OC[C@H]1N(Cc1ccccc1)C[C@@H]2OCc1ccccc1.
What is the InChIKey of (1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol?
The InChIKey is SUMHFSHJVNLNTA-FUMNGEBKSA-N. The full InChI is InChI=1S/C20H23NO3/c22-19-17-14-24-20(19)18(23-13-16-9-5-2-6-10-16)12-21(17)11-15-7-3-1-4-8-15/h1-10,17-20,22H,11-14H2/t17-,18+,19+,20-/m1/s1.
What are the key properties of (1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol?
(1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol has a molecular weight of 325.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S,8S)-2-benzyl-4-phenylmethoxy-6-oxa-2-azabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 11954797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).