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 | Beijing | Inquiry |
1249883-28-0 / 3-cyclopropyl-4H-1,2,4-oxadiazol-5-one
Basic Information
CAS
1249883-28-0
Multi CAS
No
Molecular Formula
C5H6N2O2
Molecular Weight
126.110000
Exact Mass
126.042927
SMILES
C1CC1C2=NOC(=O)N2
InChI
InChI=1S/C5H6N2O2/c8-5-6-4(7-9-5)3-1-2-3/h3H,1-2H2,(H,6,7,8)
InChIKey
QMGWSHRKLCKRBV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
29.1
TPSA
58.89
LogP / Solubility
WLOGP
0.24
MLOGP
0.2
XLogP3
0.2
Consensus LogP
0.21
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
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)
-3.32
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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