![CAS 162045-53-6 tert-Butyl 4-(2-oxobenzo[d]oxazol-3(2H)-yl)piperidine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/162045-53-6.gif)
CAS RN: 162045-53-6
tert-Butyl 4-(2-oxobenzo[d]oxazol-3(2H)-yl)piperidine-1-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250820 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS162045-53-6
- Purity/Analytical Methods: >99.0%
162045-53-6 / tert-butyl 4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylate
Basic Information
CAS
162045-53-6
Multi CAS
No
Molecular Formula
C17H22N2O4
Molecular Weight
318.400000
Exact Mass
318.157957
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C3=CC=CC=C3OC2=O
InChI
InChI=1S/C17H22N2O4/c1-17(2,3)23-15(20)18-10-8-12(9-11-18)19-13-6-4-5-7-14(13)22-16(19)21/h4-7,12H,8-11H2,1-3H3
InChIKey
AUWQQLLBNFTTNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
86.55
TPSA
64.68
LogP / Solubility
WLOGP
3.17
MLOGP
2.8
XLogP3
2.8
Consensus LogP
2.92
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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