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CAS 933754-48-4 2-(5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)ethanamine molecular structure lightbox
CAS RN: 933754-48-4

2-(5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)ethanamine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250629 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS933754-48-4
  • Purity/Analytical Methods: >99.0%
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933754-48-4 / 2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethanamine

Standard CAS: 933754-48-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
933754-48-4
Multi CAS
No
Molecular Formula
C9H10N4O
Molecular Weight
190.200000
Exact Mass
190.085461
InChI
InChI=1S/C9H10N4O/c10-4-3-8-12-13-9(14-8)7-2-1-5-11-6-7/h1-2,5-6H,3-4,10H2
InChIKey
ZRWGYOOCIXFUPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.29
TPSA
77.83

LogP / Solubility

WLOGP
0.63
MLOGP
0.56
XLogP3
-0.3
Consensus LogP
0.3
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.43

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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