![CAS 20503-78-0 2-[4,5-Diphenyl-2-oxazolyl(methyl)amino]ethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/20503-78-0.gif)
CAS RN: 20503-78-0
2-[4,5-Diphenyl-2-oxazolyl(methyl)amino]ethanol
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS20503-78-0
- Purity/Analytical Methods: >99.0%
20503-78-0 / 2-[(4,5-diphenyl-1,3-oxazol-2-yl)-methylamino]ethanol
Basic Information
CAS
20503-78-0
Multi CAS
No
Molecular Formula
C18H18N2O2
Molecular Weight
294.300000
Exact Mass
294.136828
SMILES
CN(CCO)C1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c1-20(12-13-21)18-19-16(14-8-4-2-5-9-14)17(22-18)15-10-6-3-7-11-15/h2-11,21H,12-13H2,1H3
InChIKey
KRSJARZIUCHGQS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
87.73
TPSA
49.5
LogP / Solubility
WLOGP
3.44
MLOGP
3.04
XLogP3
3.4
Consensus LogP
3.29
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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