![CAS 1414963-82-8 N-[5-(2-Furanyl)-1,3,4-oxadiazol-2-yl]-N′-(2-pyridinylmethyl)-urea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1414963-82-8.gif)
CAS RN: 1414963-82-8
N-[5-(2-Furanyl)-1,3,4-oxadiazol-2-yl]-N′-(2-pyridinylmethyl)-urea
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260219 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250201 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260314 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250123 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250906 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251229 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250530 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1414963-82-8
- Purity/Analytical Methods: >99.0%
1414963-82-8 / 1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(pyridin-2-ylmethyl)urea
Basic Information
CAS
1414963-82-8
Multi CAS
No
Molecular Formula
C13H11N5O3
Molecular Weight
285.260000
Exact Mass
285.086189
SMILES
C1=CC=NC(=C1)CNC(=O)NC2=NN=C(O2)C3=CC=CO3
InChI
InChI=1S/C13H11N5O3/c19-12(15-8-9-4-1-2-6-14-9)16-13-18-17-11(21-13)10-5-3-7-20-10/h1-7H,8H2,(H2,15,16,18,19)
InChIKey
FNSCFQXZZNCDAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
72.1
TPSA
106.08
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
0.3
Consensus LogP
1.39
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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