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CAS 1314891-22-9 N-[2-Methyl-2-(2-phenyloxazol-4-yl)propyl]-3-[5-(trifluoroMethyl)-1,2,4-oxadiazol-3-yl]benzaMide molecular structure lightbox
CAS RN: 1314891-22-9

N-[2-Methyl-2-(2-phenyloxazol-4-yl)propyl]-3-[5-(trifluoroMethyl)-1,2,4-oxadiazol-3-yl]benzaMide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250807 5mg / 25mg / 100mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-038500
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1314891-22-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1314891-22-9 / N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

Standard CAS: 1314891-22-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1314891-22-9
Multi CAS
No
Molecular Formula
C23H19F3N4O3
Molecular Weight
456.400000
Exact Mass
456.140925
SMILES
CC(C)(CNC(=O)C1=CC=CC(=C1)C2=NOC(=N2)C(F)(F)F)C3=COC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C23H19F3N4O3/c1-22(2,17-12-32-20(28-17)14-7-4-3-5-8-14)13-27-19(31)16-10-6-9-15(11-16)18-29-21(33-30-18)23(24,25)26/h3-12H,13H2,1-2H3,(H,27,31)
InChIKey
QTCSXAUJBQZZSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
22
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
112.03
TPSA
94.05

LogP / Solubility

WLOGP
5.12
MLOGP
4.53
XLogP3
4.9
Consensus LogP
4.85
Log S (ESOL)
-5.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

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

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