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CAS 1208081-59-7 Ethyl 5-Cyclopropyl-1,2,4-Oxadiazole-3-Carboxylate molecular structure lightbox
CAS RN: 1208081-59-7

Ethyl 5-Cyclopropyl-1,2,4-Oxadiazole-3-Carboxylate

  • Product code: SSC-022143
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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 1208081-59-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1208081-59-7 / ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate

ETHYL 5-CYCLOPROPYL-1,2,4-OXADIAZOLE-3-CARBOXYLATE | MFCD11975676 | 5-CYCLOPROPYL-[1,2,4]OXADIAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

Standard CAS: 1208081-59-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1208081-59-7
Multi CAS
No
Molecular Formula
C8H10N2O3
Molecular Weight
182.180000
Exact Mass
182.069142
SMILES
CCOC(=O)C1=NOC(=N1)C2CC2
InChI
InChI=1S/C8H10N2O3/c1-2-12-8(11)6-9-7(13-10-6)5-3-4-5/h5H,2-4H2,1H3
InChIKey
TVQFAFUQWCOIBI-UHFFFAOYSA-N
Synonyms
ETHYL 5-CYCLOPROPYL-1,2,4-OXADIAZOLE-3-CARBOXYLATE MFCD11975676 5-CYCLOPROPYL-[1,2,4]OXADIAZOLE-3-CARBOXYLIC ACID ETHYL ESTER SCHEMBL17645769 TVQFAFUQWCOIBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
42.23
TPSA
65.22

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
1.3
Consensus LogP
1.14
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-3.03

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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