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CAS 1419075-88-9 4-(1,3,4-Oxadiazol-2-yl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 1419075-88-9

4-(1,3,4-Oxadiazol-2-yl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester

  • Product code: SSC-052578
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1419075-88-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1419075-88-9 / tert-butyl 4-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate

Standard CAS: 1419075-88-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1419075-88-9
Multi CAS
No
Molecular Formula
C12H19N3O3
Molecular Weight
253.300000
Exact Mass
253.142641
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NN=CO2
InChI
InChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)15-6-4-9(5-7-15)10-14-13-8-17-10/h8-9H,4-7H2,1-3H3
InChIKey
PEUCRGBKJORQOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
64.08
TPSA
68.46

LogP / Solubility

WLOGP
2.18
MLOGP
1.93
XLogP3
1.2
Consensus LogP
1.77
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

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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