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CAS 1245645-77-5 ethyl 5-ethyl-1,2,4-oxadiazole-3-carboxylate molecular structure lightbox
CAS RN: 1245645-77-5

ethyl 5-ethyl-1,2,4-oxadiazole-3-carboxylate

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260228 100mg Out of stock Inquiry
Batchno.20260113 250mg Out of stock Inquiry
  • Product code: SSC-028464
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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 1245645-77-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1245645-77-5 / ethyl 5-ethyl-1,2,4-oxadiazole-3-carboxylate

Standard CAS: 1245645-77-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1245645-77-5
Multi CAS
No
Molecular Formula
C7H10N2O3
Molecular Weight
170.170000
Exact Mass
170.069142
SMILES
CCC1=NC(=NO1)C(=O)OCC
InChI
InChI=1S/C7H10N2O3/c1-3-5-8-6(9-12-5)7(10)11-4-2/h3-4H2,1-2H3
InChIKey
AWXGONDMMURUGN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
39.63
TPSA
65.22

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
1.5
Consensus LogP
1.01
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.18

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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