CAS RN: 784194-02-1

(S)-N-(2-(4-(tert-butyl)-4,5-dihydrooxazol-2-yl)phenyl)-1-phenylmethanesulfonamide

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  • Product code: starshine_CAS784194-02-1
  • Purity/Analytical Methods: >99.0%
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784194-02-1 / N-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1-phenylmethanesulfonamide

Standard CAS: 784194-02-1 Multi CAS: Yes

Basic Information

CAS
784194-02-1
Multi CAS
Yes
Molecular Formula
C20H24N2O3S
Molecular Weight
372.500000
Exact Mass
372.150764
InChI
InChI=1S/C20H24N2O3S/c1-20(2,3)18-13-25-19(21-18)16-11-7-8-12-17(16)22-26(23,24)14-15-9-5-4-6-10-15/h4-12,18,22H,13-14H2,1-3H3/t18-/m1/s1
InChIKey
GQHRAPQXHMIKDO-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
104.86
TPSA
67.76

LogP / Solubility

WLOGP
3.82
MLOGP
3.38
XLogP3
3.7
Consensus LogP
3.63
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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