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CAS 886851-25-8 N,5-DIMETHYLISOXAZOL-3-YLMETHYLAMINE molecular structure lightbox
CAS RN: 886851-25-8

N,5-DIMETHYLISOXAZOL-3-YLMETHYLAMINE

  • Product code: SSC-200163
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 886851-25-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

886851-25-8 / N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine

Standard CAS: 886851-25-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
886851-25-8
Multi CAS
Yes
Molecular Formula
C6H10N2O
Molecular Weight
126.160000
Exact Mass
126.079313
InChI
InChI=1S/C6H10N2O/c1-5-3-6(4-7-2)8-9-5/h3,7H,4H2,1-2H3
InChIKey
RHCMPOAWANNSSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34
TPSA
38.06

LogP / Solubility

WLOGP
0.7
MLOGP
0.61
XLogP3
0.2
Consensus LogP
0.5
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
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)
-2.99

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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