CAS RN: 23088-52-0
5-Phenyl-3-isoxazolecarboxamide
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260601 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS23088-52-0
- Purity/Analytical Methods: >99.0%
23088-52-0 / 5-phenyl-1,2-oxazole-3-carboxamide
Basic Information
CAS
23088-52-0
Multi CAS
No
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
SMILES
C1=CC=C(C=C1)C2=CC(=NO2)C(=O)N
InChI
InChI=1S/C10H8N2O2/c11-10(13)8-6-9(14-12-8)7-4-2-1-3-5-7/h1-6H,(H2,11,13)
InChIKey
ASVXNFGUPSDDTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.46
TPSA
69.12
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1.8
Consensus LogP
1.5
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.85
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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