![CAS 164029-51-0 “ethyl 5-({[(tert-butoxy)carbonyl]aMino}Methyl)-1,3,4-oxadiazole-2-carboxylate” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/164029-51-0.gif)
CAS RN: 164029-51-0
“ethyl 5-({[(tert-butoxy)carbonyl]aMino}Methyl)-1,3,4-oxadiazole-2-carboxylate”
Product Availability
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5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260323 | 100mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250110 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250102 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250227 | 250mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20260420 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS164029-51-0
- Purity/Analytical Methods: >99.0%
164029-51-0 / ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-oxadiazole-2-carboxylate
Basic Information
CAS
164029-51-0
Multi CAS
No
Molecular Formula
C11H17N3O5
Molecular Weight
271.270000
Exact Mass
271.116821
SMILES
CCOC(=O)C1=NN=C(O1)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C11H17N3O5/c1-5-17-9(15)8-14-13-7(18-8)6-12-10(16)19-11(2,3)4/h5-6H2,1-4H3,(H,12,16)
InChIKey
AWBKZLODEPRJBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
63.33
TPSA
103.55
LogP / Solubility
WLOGP
1.27
MLOGP
1.13
XLogP3
0.8
Consensus LogP
1.07
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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