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CAS 1711-88-2 5-(1-METHYLETHYL)-1,3,4-OXADIAZOL-2(3H)-ONE molecular structure lightbox
CAS RN: 1711-88-2

5-(1-METHYLETHYL)-1,3,4-OXADIAZOL-2(3H)-ONE

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260213 1g In stock Inquiry
Batchno.20250131 250mg In stock Inquiry
Batchno.20250908 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250529 1g In stock Shanghai Inquiry
Batchno.20250501 250mg In stock Shanghai Inquiry
Batchno.20250813 5g In stock Shanghai Inquiry
  • Product code: SSC-075387
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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: ＞97%
  • 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 1711-88-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1711-88-2 / 5-propan-2-yl-3H-1,3,4-oxadiazol-2-one

Standard CAS: 1711-88-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1711-88-2
Multi CAS
No
Molecular Formula
C5H8N2O2
Molecular Weight
128.130000
Exact Mass
128.058578
SMILES
CC(C)C1=NNC(=O)O1
InChI
InChI=1S/C5H8N2O2/c1-3(2)4-6-7-5(8)9-4/h3H,1-2H3,(H,7,8)
InChIKey
YUJVMSLMIGONMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.21
TPSA
58.89

LogP / Solubility

WLOGP
0.49
MLOGP
0.42
XLogP3
0.8
Consensus LogP
0.57
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.02
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)
-3.16

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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