![CAS 887405-27-8 N-Methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/887405-27-8.gif)
CAS RN: 887405-27-8
N-Methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amine
- Product code: SSC-200280
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
887405-27-8 / N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
Basic Information
CAS
887405-27-8
Multi CAS
Yes
Molecular Formula
C5H9N3O
Molecular Weight
127.140000
Exact Mass
127.074562
InChI
InChI=1S/C5H9N3O/c1-4-7-8-5(9-4)3-6-2/h6H,3H2,1-2H3
InChIKey
UBJBBIDQROEAMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
31.8
TPSA
50.95
LogP / Solubility
WLOGP
0.1
MLOGP
0.08
XLogP3
-0.4
Consensus LogP
-0.07
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
Class (SILICOS-IT)
Very 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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