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CAS 1085431-16-8 3-Pyridinecarboxylic acid, 6-[(4R)-4,5-dihydro-4-phenyl-2-oxazolyl]-, ethyl ester molecular structure lightbox
CAS RN: 1085431-16-8

3-Pyridinecarboxylic acid, 6-[(4R)-4,5-dihydro-4-phenyl-2-oxazolyl]-, ethyl ester

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260220 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260406 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250117 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260209 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250922 5g Out of stock Inquiry
  • Product code: starshine_CAS1085431-16-8
  • Purity/Analytical Methods: >99.0%
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1085431-16-8 / ethyl 6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylate

(R)-Ethyl 6-(4-phenyl-4,5-dihydrooxazol-2-yl)nicotinate | MFCD34563843 | Ethyl 6-[(4R)-4,5-dihydro-4-phenyl-2-oxazolyl]-3-pyridinecarboxylate

Standard CAS: 1085431-16-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1085431-16-8
Multi CAS
Yes
Molecular Formula
C17H16N2O3
Molecular Weight
296.320000
Exact Mass
296.116092
SMILES
CCOC(=O)C1=CN=C(C=C1)C2=N[C@@H](CO2)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O3/c1-2-21-17(20)13-8-9-14(18-10-13)16-19-15(11-22-16)12-6-4-3-5-7-12/h3-10,15H,2,11H2,1H3/t15-/m0/s1
InChIKey
RZHLOFBGPCNWKY-HNNXBMFYSA-N
Synonyms
(R)-Ethyl 6-(4-phenyl-4,5-dihydrooxazol-2-yl)nicotinate MFCD34563843 Ethyl 6-[(4R)-4,5-dihydro-4-phenyl-2-oxazolyl]-3-pyridinecarboxylate ethyl 6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-3-carboxylate BS-52149

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
81.87
TPSA
60.78

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.6
Consensus LogP
2.61
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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