CAS RN: 1257266-93-5
Ethyl 2-vinyloxazole-5-carboxylate
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3 package records0 with current stock2 grade groups
- Product code: starshine_CAS1257266-93-5
- Purity/Analytical Methods: >99.0%
1257266-93-5 / ethyl 2-ethenyl-1,3-oxazole-5-carboxylate
Basic Information
CAS
1257266-93-5
Multi CAS
No
Molecular Formula
C8H9NO3
Molecular Weight
167.160000
Exact Mass
167.058243
SMILES
CCOC(=O)C1=CN=C(O1)C=C
InChI
InChI=1S/C8H9NO3/c1-3-7-9-5-6(12-7)8(10)11-4-2/h3,5H,1,4H2,2H3
InChIKey
RHKCNOBFNDEJTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
42.55
TPSA
52.33
LogP / Solubility
WLOGP
1.49
MLOGP
1.31
XLogP3
1.7
Consensus LogP
1.5
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately 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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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