![CAS 2095668-10-1 4-Oxazolecarboxamide, 2-[2-[[2-(1H-benzimidazol-2-yl)ethyl]amino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2095668-10-1.png)
CAS RN: 2095668-10-1
4-Oxazolecarboxamide, 2-[2-[[2-(1H-benzimidazol-2-yl)ethyl]amino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260617 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2095668-10-1
- Purity/Analytical Methods: >99.0%
2095668-10-1 / 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide
Basic Information
CAS
2095668-10-1
Multi CAS
No
Molecular Formula
C21H21FN6O2
Molecular Weight
408.400000
Exact Mass
408.171002
SMILES
C1=CC=C2C(=C1)NC(=N2)CCNCCC3=NC(=CO3)C(=O)NCC4=C(C=CC=N4)F
InChI
InChI=1S/C21H21FN6O2/c22-14-4-3-9-24-17(14)12-25-21(29)18-13-30-20(28-18)8-11-23-10-7-19-26-15-5-1-2-6-16(15)27-19/h1-6,9,13,23H,7-8,10-12H2,(H,25,29)(H,26,27)
InChIKey
KNYVRFXIVWUGBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
20
Fraction Csp3
0.24
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
3
Molar refractivity
108.24
TPSA
108.73
LogP / Solubility
WLOGP
2.39
MLOGP
2.13
XLogP3
1.9
Consensus LogP
2.14
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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