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CAS 1260809-16-2 5-Cyclobutyl-1,2,4-oxadiazol-3-amine molecular structure lightbox
CAS RN: 1260809-16-2

5-Cyclobutyl-1,2,4-oxadiazol-3-amine

  • Product code: SSC-032139
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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: 0.25g
  • 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 1260809-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1260809-16-2 / 5-cyclobutyl-1,2,4-oxadiazol-3-amine

Standard CAS: 1260809-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260809-16-2
Multi CAS
No
Molecular Formula
C6H9N3O
Molecular Weight
139.160000
Exact Mass
139.074562
SMILES
C1CC(C1)C2=NC(=NO2)N
InChI
InChI=1S/C6H9N3O/c7-6-8-5(10-9-6)4-2-1-3-4/h4H,1-3H2,(H2,7,9)
InChIKey
KXPMDRVVCYBVFR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
35.3
TPSA
64.94

LogP / Solubility

WLOGP
0.92
MLOGP
0.8
XLogP3
0.9
Consensus LogP
0.87
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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