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CAS 166395-15-9 4-(AMinoMethyl)-2-oxazolidinone molecular structure lightbox
CAS RN: 166395-15-9

4-(AMinoMethyl)-2-oxazolidinone

  • Product code: SSC-072636
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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 166395-15-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

166395-15-9 / 4-(aminomethyl)-1,3-oxazolidin-2-one

Standard CAS: 166395-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
166395-15-9
Multi CAS
No
Molecular Formula
C4H8N2O2
Molecular Weight
116.120000
Exact Mass
116.058578
SMILES
C1C(NC(=O)O1)CN
InChI
InChI=1S/C4H8N2O2/c5-1-3-2-8-4(7)6-3/h3H,1-2,5H2,(H,6,7)
InChIKey
SEMURSKJWYPYKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
27.33
TPSA
64.35

LogP / Solubility

WLOGP
-0.95
MLOGP
-0.84
XLogP3
-1.2
Consensus LogP
-1
Log S (ESOL)
0.1
Class (ESOL)
Highly soluble
Log S (Ali)
0.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.25
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.1

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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