CAS RN: 2095343-59-0
methyl 3-methyl-1,2,4-oxadiazole-5-carboxylate(WXC08911)
- Product code: SSC-099298
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2095343-59-0 / methyl 3-methyl-1,2,4-oxadiazole-5-carboxylate
Basic Information
CAS
2095343-59-0
Multi CAS
No
Molecular Formula
C5H6N2O3
Molecular Weight
142.110000
Exact Mass
142.037842
SMILES
CC1=NOC(=N1)C(=O)OC
InChI
InChI=1S/C5H6N2O3/c1-3-6-4(10-7-3)5(8)9-2/h1-2H3
InChIKey
RQJWAHOXIZKHPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
30.37
TPSA
65.22
LogP / Solubility
WLOGP
0.16
MLOGP
0.14
XLogP3
0.7
Consensus LogP
0.33
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very 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)
-3.47
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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