CAS RN: 521982-80-9
3-(oxazol-4-yl)aniline
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260205 | 100mg | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20250810 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260418 | 250mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20251222 | 50mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251212 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS521982-80-9
- Purity/Analytical Methods: >99.0%
521982-80-9 / 3-(1,3-oxazol-4-yl)aniline
Basic Information
CAS
521982-80-9
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
InChI
InChI=1S/C9H8N2O/c10-8-3-1-2-7(4-8)9-5-12-6-11-9/h1-6H,10H2
InChIKey
ZHOOTBMJVAOIIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.35
TPSA
52.05
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
1.3
Consensus LogP
1.64
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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