(1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol

C22H27NO4 — CID 98552148

IUPAC(1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
SMILESCN1C[C@@]2(CO)C(O)[C@](CO)(C1)[C@H](c1ccccc1)O[C@@H]2c1ccccc1
InChIInChI=1S/C22H27NO4/c1-23-12-21(14-24)18(16-8-4-2-5-9-16)27-19(17-10-6-3-7-11-17)22(13-23,15-25)20(21)26/h2-11,18-20,24-26H,12-15H2,1H3/t18-,19+,20?,21-,22-/m0/s1
InChIKeyHGOIZBXGKQHHEE-OACCOTFLSA-N
MW369.46 g/mol
LogP1.76
Rot. Bonds4

About (1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol

(1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 98552148) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is (1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
PubChem CID98552148
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name(1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
SMILESCN1C[C@@]2(CO)C(O)[C@](CO)(C1)[C@H](c1ccccc1)O[C@@H]2c1ccccc1
InChIInChI=1S/C22H27NO4/c1-23-12-21(14-24)18(16-8-4-2-5-9-16)27-19(17-10-6-3-7-11-17)22(13-23,15-25)20(21)26/h2-11,18-20,24-26H,12-15H2,1H3/t18-,19+,20?,21-,22-/m0/s1
InChIKeyHGOIZBXGKQHHEE-OACCOTFLSA-N
XLogP1.76
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
(1S,4S)-4-hydroxy-1-phenyl-2-oxaspiro[4.4]nonan-3-one
CID 101214627
[(3R,5S)-3,5-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 833097
[(3R,5R)-3,5-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 833098
ethane;2-(3-phenyloxiran-2-yl)ethanol
CID 143522200
3-fluoro-1-methyl-3-phenylazetidine
CID 126996744
(1S,5S)-3-benzhydryl-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 6355846
4-hydroxy-6-methyl-2-phenyl-1-oxa-6-azaspiro[2.4]heptane-5,7-dione
CID 11139021
[(2S,5S)-3-(3-methylbutyl)-2-phenyl-1,3-oxazolidin-5-yl]methanol
CID 125494670
[(3R,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]methanol
CID 131042168
(3S,3aS,6S)-3a-fluoro-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
CID 122232525
2-methyl-2-[(2-methyl-3-phenyloxiran-2-yl)methoxymethyl]-3-phenyloxirane
CID 139617656

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol (CID 98552148) is (1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol is CN1C[C@@]2(CO)C(O)[C@](CO)(C1)[C@H](c1ccccc1)O[C@@H]2c1ccccc1.
What is the InChIKey of (1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is HGOIZBXGKQHHEE-OACCOTFLSA-N. The full InChI is InChI=1S/C22H27NO4/c1-23-12-21(14-24)18(16-8-4-2-5-9-16)27-19(17-10-6-3-7-11-17)22(13-23,15-25)20(21)26/h2-11,18-20,24-26H,12-15H2,1H3/t18-,19+,20?,21-,22-/m0/s1.
What are the key properties of (1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol?
(1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 369.46 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5R)-1,5-bis(hydroxymethyl)-7-methyl-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 98552148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).