![CAS 1953130-87-4 N-(trans-3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1953130-87-4.gif)
CAS RN: 1953130-87-4
N-(trans-3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl)-3-phenyl-1,2-oxazole-5-carboxamide
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.20250402 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1953130-87-4
- Purity/Analytical Methods: >99.0%
1953130-87-4 / N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
Basic Information
CAS
1953130-87-4
Multi CAS
No
Molecular Formula
C18H18N4O4
Molecular Weight
354.400000
Exact Mass
354.132805
SMILES
C[C@H](C1=NN=C(O1)C2CC(C2)NC(=O)C3=CC(=NO3)C4=CC=CC=C4)O
InChI
InChI=1S/C18H18N4O4/c1-10(23)17-20-21-18(25-17)12-7-13(8-12)19-16(24)15-9-14(22-26-15)11-5-3-2-4-6-11/h2-6,9-10,12-13,23H,7-8H2,1H3,(H,19,24)/t10-,12?,13?/m1/s1
InChIKey
XPEHHUISIBFLHX-QFWMXSHPSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
90.1
TPSA
114.28
LogP / Solubility
WLOGP
2.45
MLOGP
2.18
XLogP3
1.4
Consensus LogP
2.01
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly 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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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