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CAS 1167056-76-9 2-Fluoro-4-oxazolecarboxylic Acid molecular structure lightbox
CAS RN: 1167056-76-9

2-Fluoro-4-oxazolecarboxylic Acid

  • Product code: SSC-016657
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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 1167056-76-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1167056-76-9 / 2-fluoro-1,3-oxazole-4-carboxylic acid

2-Fluorooxazole-4-carboxylic acid | 2-fluoro-1,3-oxazole-4-carboxylic acid | 2-Fluoro-4-oxazolecarboxylic Acid

Standard CAS: 1167056-76-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1167056-76-9
Multi CAS
No
Molecular Formula
C4H2FNO3
Molecular Weight
131.060000
Exact Mass
131.001871
SMILES
C1=C(N=C(O1)F)C(=O)O
InChI
InChI=1S/C4H2FNO3/c5-4-6-2(1-9-4)3(7)8/h1H,(H,7,8)
InChIKey
CFDLNDSXMCHEBI-UHFFFAOYSA-N
Synonyms
2-Fluorooxazole-4-carboxylic acid 2-fluoro-1,3-oxazole-4-carboxylic acid 2-Fluoro-4-oxazolecarboxylic Acid C4H2FNO3 4-Oxazolecarboxylic acid, 2-fluoro-

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
23.42
TPSA
63.33

LogP / Solubility

WLOGP
0.51
MLOGP
0.44
XLogP3
0.6
Consensus LogP
0.52
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.06
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

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

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