CAS RN: 898759-95-0
2-(4-PHENOXYBENZOYL)OXAZOLE
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4 package records1 with current stock1 grade group
- Product code: starshine_CAS898759-95-0
- Purity/Analytical Methods: >99.0%
898759-95-0 / 1,3-oxazol-2-yl-(4-phenoxyphenyl)methanone
Basic Information
CAS
898759-95-0
Multi CAS
No
Molecular Formula
C16H11NO3
Molecular Weight
265.260000
Exact Mass
265.073893
InChI
InChI=1S/C16H11NO3/c18-15(16-17-10-11-19-16)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-11H
InChIKey
SETVYQYNYUPHSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
17
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
72.89
TPSA
52.33
LogP / Solubility
WLOGP
3.7
MLOGP
3.26
XLogP3
3.5
Consensus LogP
3.49
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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