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CAS 914220-32-9 5-(4-CYANOPHENYL)-OXAZOLE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 914220-32-9

5-(4-CYANOPHENYL)-OXAZOLE-4-CARBOXYLIC ACID

  • Product code: SSC-204479
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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: 1g
  • 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 914220-32-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

914220-32-9 / 5-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid

Standard CAS: 914220-32-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914220-32-9
Multi CAS
No
Molecular Formula
C11H6N2O3
Molecular Weight
214.180000
Exact Mass
214.037842
InChI
InChI=1S/C11H6N2O3/c12-5-7-1-3-8(4-2-7)10-9(11(14)15)13-6-16-10/h1-4,6H,(H,14,15)
InChIKey
VFLFLOCQCZVXRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.61
TPSA
87.12

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.6
Consensus LogP
1.73
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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