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CAS 14016-01-4 3-Hydroxyisoxazole-5-carboxamide molecular structure lightbox
CAS RN: 14016-01-4

3-Hydroxyisoxazole-5-carboxamide

  • Product code: SSC-050650
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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: ＞97%
  • 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 14016-01-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

14016-01-4 / 3-oxo-1,2-oxazole-5-carboxamide

Standard CAS: 14016-01-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14016-01-4
Multi CAS
No
Molecular Formula
C4H4N2O3
Molecular Weight
128.090000
Exact Mass
128.022192
SMILES
C1=C(ONC1=O)C(=O)N
InChI
InChI=1S/C4H4N2O3/c5-4(8)2-1-3(7)6-9-2/h1H,(H2,5,8)(H,6,7)
InChIKey
VAXZHEOQJVBMQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
27.85
TPSA
89.09

LogP / Solubility

WLOGP
-0.93
MLOGP
-0.83
XLogP3
-1.2
Consensus LogP
-0.99
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.16
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.16

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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