[email protected]
CAS 914299-45-9 5-Ethyl-3-(pyrrolidin-3-ylmethoxymethyl)-[1,2,4]oxadiazole molecular structure lightbox
CAS RN: 914299-45-9

5-Ethyl-3-(pyrrolidin-3-ylmethoxymethyl)-[1,2,4]oxadiazole

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260317 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS914299-45-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

914299-45-9 / 5-ethyl-3-(pyrrolidin-3-ylmethoxymethyl)-1,2,4-oxadiazole

Standard CAS: 914299-45-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914299-45-9
Multi CAS
No
Molecular Formula
C10H17N3O2
Molecular Weight
211.260000
Exact Mass
211.132077
InChI
InChI=1S/C10H17N3O2/c1-2-10-12-9(13-15-10)7-14-6-8-3-4-11-5-8/h8,11H,2-7H2,1H3
InChIKey
DMGYVPBLEZAFTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.31
TPSA
60.18

LogP / Solubility

WLOGP
0.76
MLOGP
0.67
XLogP3
0.6
Consensus LogP
0.68
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
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)
-3.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us