CAS RN: 70380-74-4

5-(3-PYRIDYL)-1,3-OXAZOLE

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  • Product code: starshine_CAS70380-74-4
  • Purity/Analytical Methods: >99.0%
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70380-74-4 / 5-pyridin-3-yl-1,3-oxazole

Standard CAS: 70380-74-4 Multi CAS: Yes

Basic Information

CAS
70380-74-4
Multi CAS
Yes
Molecular Formula
C8H6N2O
Molecular Weight
146.150000
Exact Mass
146.048013
InChI
InChI=1S/C8H6N2O/c1-2-7(4-9-3-1)8-5-10-6-11-8/h1-6H
InChIKey
OSPHPLUEQZNLHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
39.73
TPSA
38.92

LogP / Solubility

WLOGP
1.74
MLOGP
1.52
XLogP3
0.9
Consensus LogP
1.39
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.38

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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