CAS RN: 941306-42-9
2-Bromooxazole-4-carboxamide
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS941306-42-9
- Purity/Analytical Methods: >99.0%
941306-42-9 / 2-bromo-1,3-oxazole-4-carboxamide
Basic Information
CAS
941306-42-9
Multi CAS
No
Molecular Formula
BC4H3O2Rn2
Molecular Weight
190.980000
Exact Mass
189.937790
InChI
InChI=1S/C4H3BrN2O2/c5-4-7-2(1-9-4)3(6)8/h1H,(H2,6,8)
InChIKey
GGEDYGYHTVGLAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.72
TPSA
69.12
LogP / Solubility
WLOGP
0.54
MLOGP
0.47
XLogP3
0.6
Consensus LogP
0.54
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
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)
-3.5
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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