(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol

C24H27FN2O3 — CID 75536265

IUPAC(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol
SMILESCc1ccc(CNC[C@H]2O[C@H](Cc3cc(-c4ccc(F)cc4)on3)CC[C@@H]2O)cc1
InChIInChI=1S/C24H27FN2O3/c1-16-2-4-17(5-3-16)14-26-15-24-22(28)11-10-21(29-24)12-20-13-23(30-27-20)18-6-8-19(25)9-7-18/h2-9,13,21-22,24,26,28H,10-12,14-15H2,1H3/t21-,22-,24+/m0/s1
InChIKeyLYJMYMOWQAIVCN-WPFOTENUSA-N
MW410.49 g/mol
LogP4.03
Rot. Bonds7

About (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol

(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol (PubChem CID 75536265) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol
PubChem CID75536265
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol
SMILESCc1ccc(CNC[C@H]2O[C@H](Cc3cc(-c4ccc(F)cc4)on3)CC[C@@H]2O)cc1
InChIInChI=1S/C24H27FN2O3/c1-16-2-4-17(5-3-16)14-26-15-24-22(28)11-10-21(29-24)12-20-13-23(30-27-20)18-6-8-19(25)9-7-18/h2-9,13,21-22,24,26,28H,10-12,14-15H2,1H3/t21-,22-,24+/m0/s1
InChIKeyLYJMYMOWQAIVCN-WPFOTENUSA-N
XLogP4.03
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol 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 (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol?
The IUPAC name of (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol (CID 75536265) is (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol?
The canonical SMILES for (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol is Cc1ccc(CNC[C@H]2O[C@H](Cc3cc(-c4ccc(F)cc4)on3)CC[C@@H]2O)cc1.
What is the InChIKey of (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol?
The InChIKey is LYJMYMOWQAIVCN-WPFOTENUSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-16-2-4-17(5-3-16)14-26-15-24-22(28)11-10-21(29-24)12-20-13-23(30-27-20)18-6-8-19(25)9-7-18/h2-9,13,21-22,24,26,28H,10-12,14-15H2,1H3/t21-,22-,24+/m0/s1.
What are the key properties of (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol?
(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol has a molecular weight of 410.49 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[[(4-methylphenyl)methylamino]methyl]oxan-3-ol is sourced from PubChem (CID 75536265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).