CAS RN: 1243307-69-8
1,2,4-Oxadiazole, 3-methyl-5-(3R)-3-pyrrolidinyl-
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260408 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINO927044
1243307-69-8 / 3-methyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
Basic Information
CAS
1243307-69-8
Multi CAS
No
Molecular Formula
C7H11N3O
Molecular Weight
153.180000
Exact Mass
153.090212
SMILES
CC1=NOC(=N1)[C@@H]2CCNC2
InChI
InChI=1S/C7H11N3O/c1-5-9-7(11-10-5)6-2-3-8-4-6/h6,8H,2-4H2,1H3/t6-/m1/s1
InChIKey
AMTJXKSIHPLYQB-ZCFIWIBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.26
TPSA
50.95
LogP / Solubility
WLOGP
0.45
MLOGP
0.39
XLogP3
0.3
Consensus LogP
0.38
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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