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CAS 913264-42-3 tert-butyl 4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 913264-42-3

tert-butyl 4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate

  • Product code: SSC-204275
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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 913264-42-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

913264-42-3 / tert-butyl 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate

Standard CAS: 913264-42-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
913264-42-3
Multi CAS
No
Molecular Formula
C15H25N3O3
Molecular Weight
295.380000
Exact Mass
295.189592
InChI
InChI=1S/C15H25N3O3/c1-10(2)12-16-13(21-17-12)11-6-8-18(9-7-11)14(19)20-15(3,4)5/h10-11H,6-9H2,1-5H3
InChIKey
QIHZUQZZJHBESB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
78.17
TPSA
68.46

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
2.8
Consensus LogP
3.01
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly 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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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