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CAS 54289-74-6 4-(4-Methoxyphenyl)oxazole molecular structure lightbox
CAS RN: 54289-74-6

4-(4-Methoxyphenyl)oxazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260320 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS54289-74-6
  • Purity/Analytical Methods: >99.0%
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54289-74-6 / 4-(4-methoxyphenyl)-1,3-oxazole

Standard CAS: 54289-74-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54289-74-6
Multi CAS
No
Molecular Formula
C10H9NO2
Molecular Weight
175.180000
Exact Mass
175.063329
InChI
InChI=1S/C10H9NO2/c1-12-9-4-2-8(3-5-9)10-6-13-7-11-10/h2-7H,1H3
InChIKey
RDTKGSYKMUXXSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
48.49
TPSA
35.26

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
2
Consensus LogP
2.14
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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