CAS RN: 37760-54-6
ETHYL 3-PHENYL-1,2,4-OXADIAZOLE-5-CARBOXYLATE
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS37760-54-6
- Purity/Analytical Methods: >99.0%
37760-54-6 / ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate
Basic Information
CAS
37760-54-6
Multi CAS
No
Molecular Formula
C11H10N2O3
Molecular Weight
218.210000
Exact Mass
218.069142
InChI
InChI=1S/C11H10N2O3/c1-2-15-11(14)10-12-9(13-16-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
GIGKBTJPLNTFON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
55.69
TPSA
65.22
LogP / Solubility
WLOGP
1.91
MLOGP
1.69
XLogP3
2.4
Consensus LogP
2
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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