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CAS 1108603-35-5 2-[(4R)-4,5-dihydro-4-(phenylMethyl)-2-oxazolyl]- Pyridine molecular structure lightbox
CAS RN: 1108603-35-5

2-[(4R)-4,5-dihydro-4-(phenylMethyl)-2-oxazolyl]- Pyridine

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250505 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250418 100mg In stock Shanghai Inquiry
Batchno.20260308 1g In stock Tianjin, Chengdu Inquiry
Batchno.20250609 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251202 5g In stock Tianjin Inquiry
  • Product code: starshine_CAS1108603-35-5
  • Purity/Analytical Methods: >99.0%
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1108603-35-5 / (4R)-4-benzyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole

4-benzyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole | 2-(2-Pyridyl)-4-benzyl-2-oxazoline | 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine

Standard CAS: 1108603-35-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1108603-35-5
Multi CAS
Yes
Molecular Formula
C15H14N2O
Molecular Weight
238.280000
Exact Mass
238.110613
SMILES
C1[C@H](N=C(O1)C2=CC=CC=N2)CC3=CC=CC=C3
InChI
InChI=1S/C15H14N2O/c1-2-6-12(7-3-1)10-13-11-18-15(17-13)14-8-4-5-9-16-14/h1-9,13H,10-11H2/t13-/m1/s1
InChIKey
KDASQLQVBBTNJT-CYBMUJFWSA-N
Synonyms
4-benzyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole 2-(2-Pyridyl)-4-benzyl-2-oxazoline 2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine 2-(4-Benzyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine SCHEMBL15842376

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
70.66
TPSA
34.48

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
2.7
Consensus LogP
2.45
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly 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)
-2.42

Drug-likeness / Medicinal Chemistry

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

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