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CAS 955401-70-4 2-MORPHOLINOOXAZOLE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 955401-70-4

2-MORPHOLINOOXAZOLE-4-CARBOXYLIC ACID

  • Product code: SSC-211017
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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 955401-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

955401-70-4 / 2-morpholin-4-yl-1,3-oxazole-4-carboxylic acid

Standard CAS: 955401-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
955401-70-4
Multi CAS
No
Molecular Formula
C8H10N2O4
Molecular Weight
198.180000
Exact Mass
198.064057
InChI
InChI=1S/C8H10N2O4/c11-7(12)6-5-14-8(9-6)10-1-3-13-4-2-10/h5H,1-4H2,(H,11,12)
InChIKey
BHPWKUCWMWCLOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.49
TPSA
75.8

LogP / Solubility

WLOGP
0.21
MLOGP
0.18
XLogP3
0.3
Consensus LogP
0.23
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.78

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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