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CAS 5565-72-0 2-(3-nitrophenyl)-1,3,4-oxadiazole molecular structure lightbox
CAS RN: 5565-72-0

2-(3-nitrophenyl)-1,3,4-oxadiazole

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250323 10g Out of stock Inquiry
Batchno.20260302 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250317 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250621 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20260630 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-163570
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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 5565-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

5565-72-0 / 2-(3-nitrophenyl)-1,3,4-oxadiazole

Standard CAS: 5565-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5565-72-0
Multi CAS
No
Molecular Formula
C8H5N3O3
Molecular Weight
191.140000
Exact Mass
191.033091
InChI
InChI=1S/C8H5N3O3/c12-11(13)7-3-1-2-6(4-7)8-10-9-5-14-8/h1-5H
InChIKey
NSIRBOSXFXTYQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
46.39
TPSA
82.06

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1.2
Consensus LogP
1.43
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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