CAS RN: 1092566-65-8
Methyl 3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoate
- Product code: SSC-010493
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1092566-65-8 / methyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
METHYL 3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOATE | MFCD12198875 | METHYL3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOATE
Basic Information
CAS
1092566-65-8
Multi CAS
Yes
Molecular Formula
C11H10N2O3
Molecular Weight
218.210000
Exact Mass
218.069142
SMILES
CC1=NC(=NO1)C2=CC(=CC=C2)C(=O)OC
InChI
InChI=1S/C11H10N2O3/c1-7-12-10(13-16-7)8-4-3-5-9(6-8)11(14)15-2/h3-6H,1-2H3
InChIKey
IVFSZJJJGABDMJ-UHFFFAOYSA-N
Synonyms
METHYL 3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOATE
MFCD12198875
METHYL3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)BENZOATE
SCHEMBL1300650
SCHEMBL5661345
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
55.81
TPSA
65.22
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
2.2
Consensus LogP
1.88
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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