![CAS 2103402-79-3 {2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2103402-79-3.png)
CAS RN: 2103402-79-3
{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}amine hydrochloride
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS2103402-79-3
- Purity/Analytical Methods: >99.0%
2103402-79-3 / 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
Basic Information
CAS
2103402-79-3
Multi CAS
No
Molecular Formula
C6H12ClN3O2
Molecular Weight
193.630000
Exact Mass
193.061804
SMILES
COCC1=NOC(=N1)CCN.Cl
InChI
InChI=1S/C6H11N3O2.ClH/c1-10-4-5-8-6(2-3-7)11-9-5;/h2-4,7H2,1H3;1H
InChIKey
LTYAJZZSSYHXKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
45.02
TPSA
74.17
LogP / Solubility
WLOGP
0.14
MLOGP
0.12
XLogP3
0.14
Consensus LogP
0.13
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.8
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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