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CAS 1185303-98-3 5-Azetidin-3-yl-3-methyl-[1,2,4]oxadiazolehydrochloride molecular structure lightbox
CAS RN: 1185303-98-3

5-Azetidin-3-yl-3-methyl-[1,2,4]oxadiazolehydrochloride

  • Product code: SSC-018374
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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 1185303-98-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1185303-98-3 / 5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride

5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole hydrochloride | RefChem:530738 | 817-011-9

Standard CAS: 1185303-98-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1185303-98-3
Multi CAS
Yes
Molecular Formula
C6H10ClN3O
Molecular Weight
175.610000
Exact Mass
175.051240
SMILES
CC1=NOC(=N1)C2CNC2.Cl
InChI
InChI=1S/C6H9N3O.ClH/c1-4-8-6(10-9-4)5-2-7-3-5;/h5,7H,2-3H2,1H3;1H
InChIKey
XSXSNQPOWQLACE-UHFFFAOYSA-N
Synonyms
5-(azetidin-3-yl)-3-methyl-1,2,4-oxadiazole hydrochloride RefChem:530738 817-011-9 MFCD12028534 5-(Azetidin-3-yl)-3-methyl-1,2,4-oxadiazole HCl

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.89
TPSA
50.95

LogP / Solubility

WLOGP
0.49
MLOGP
0.43
XLogP3
0.49
Consensus LogP
0.47
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-3.45

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501

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