CAS RN: 16112-60-0
4-Ethyloxazolidin-2-one
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS16112-60-0
- Purity/Analytical Methods: >99.0%
16112-60-0 / 4-ethyl-1,3-oxazolidin-2-one
Basic Information
CAS
16112-60-0
Multi CAS
No
Molecular Formula
C5H9NO2
Molecular Weight
115.130000
Exact Mass
115.063329
SMILES
CCC1COC(=O)N1
InChI
InChI=1S/C5H9NO2/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)
InChIKey
CRHQYASHOICRND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.56
TPSA
38.33
LogP / Solubility
WLOGP
0.5
MLOGP
0.43
XLogP3
0.7
Consensus LogP
0.54
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
