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CAS 1416820-34-2 Pyridine, 2-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-4-(trifluoromethyl)- molecular structure lightbox
CAS RN: 1416820-34-2

Pyridine, 2-[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-4-(trifluoromethyl)-

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260411 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260423 100mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260104 1g In stock Shanghai Inquiry
Batchno.20260628 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260209 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1416820-34-2
  • Purity/Analytical Methods: >99.0%
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1416820-34-2 / (4S)-4-propan-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

Standard CAS: 1416820-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416820-34-2
Multi CAS
No
Molecular Formula
C12H13F3N2O
Molecular Weight
258.240000
Exact Mass
258.097998
SMILES
CC(C)[C@H]1COC(=N1)C2=NC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C12H13F3N2O/c1-7(2)10-6-18-11(17-10)9-5-8(3-4-16-9)12(13,14)15/h3-5,7,10H,6H2,1-2H3/t10-/m1/s1
InChIKey
OZRYFBWEKRTVMB-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
60.35
TPSA
34.48

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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