CAS RN: 280110-70-5
tert-Butyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
- Product code: SSC-128568
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 | Hong Kong | Inquiry |
280110-70-5 / tert-butyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
Basic Information
CAS
280110-70-5
Multi CAS
No
Molecular Formula
C18H23N3O3
Molecular Weight
329.400000
Exact Mass
329.173942
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NN=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C18H23N3O3/c1-18(2,3)24-17(22)21-11-9-14(10-12-21)16-20-19-15(23-16)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKey
KRFMLZFLQRQWIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
89.52
TPSA
68.46
LogP / Solubility
WLOGP
3.85
MLOGP
3.4
XLogP3
2.9
Consensus LogP
3.38
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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