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CAS 52386-40-0 3-METHYL-1,2,4-OXADIAZOL-5-OL molecular structure lightbox
CAS RN: 52386-40-0

3-METHYL-1,2,4-OXADIAZOL-5-OL

  • Product code: SSC-159487
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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 52386-40-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

52386-40-0 / 3-methyl-4H-1,2,4-oxadiazol-5-one

Standard CAS: 52386-40-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52386-40-0
Multi CAS
No
Molecular Formula
C3H4N2O2
Molecular Weight
100.080000
Exact Mass
100.027277
InChI
InChI=1S/C3H4N2O2/c1-2-4-3(6)7-5-2/h1H3,(H,4,5,6)
InChIKey
RKRLQDJTVWZXMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
1
Molar refractivity
21.86
TPSA
58.89

LogP / Solubility

WLOGP
-0.33
MLOGP
-0.3
XLogP3
-0.2
Consensus LogP
-0.28
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.04
Class (SILICOS-IT)
Very 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)
-3.56

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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