(2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine

C23H27N3O — CID 154794407

IUPAC(2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H27N3O/c1-26-14-13-24-23(26)22-21(12-15-27-22)25-20(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-11,13-14,20-22,25H,12,15-17H2,1H3/t21-,22-/m0/s1
InChIKeyRGXGREBJKOSNIL-VXKWHMMOSA-N
MW361.49 g/mol
LogP3.69
Rot. Bonds7

About (2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine

(2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine (PubChem CID 154794407) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is (2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
PubChem CID154794407
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name(2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H27N3O/c1-26-14-13-24-23(26)22-21(12-15-27-22)25-20(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-11,13-14,20-22,25H,12,15-17H2,1H3/t21-,22-/m0/s1
InChIKeyRGXGREBJKOSNIL-VXKWHMMOSA-N
XLogP3.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine (CID 154794407) is (2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine is Cn1ccnc1[C@H]1OCC[C@@H]1NC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine?
The InChIKey is RGXGREBJKOSNIL-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H27N3O/c1-26-14-13-24-23(26)22-21(12-15-27-22)25-20(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-11,13-14,20-22,25H,12,15-17H2,1H3/t21-,22-/m0/s1.
What are the key properties of (2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine?
(2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine has a molecular weight of 361.49 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 154794407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).