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CAS 1211580-23-2 4-(Trifluoromethyl)oxazole-2-carboxylic acid molecular structure lightbox
CAS RN: 1211580-23-2

4-(Trifluoromethyl)oxazole-2-carboxylic acid

  • Product code: SSC-022778
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1211580-23-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry

1211580-23-2 / 4-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid

4-(Trifluoromethyl)oxazole-2-carboxylic acid | 4-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid | MFCD28098432

Standard CAS: 1211580-23-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211580-23-2
Multi CAS
No
Molecular Formula
C5H2F3NO3
Molecular Weight
181.070000
Exact Mass
180.998677
SMILES
C1=C(N=C(O1)C(=O)O)C(F)(F)F
InChI
InChI=1S/C5H2F3NO3/c6-5(7,8)2-1-12-3(9-2)4(10)11/h1H,(H,10,11)
InChIKey
HGXAYWNAZDZJIM-UHFFFAOYSA-N
Synonyms
4-(Trifluoromethyl)oxazole-2-carboxylic acid 4-(trifluoromethyl)-1,3-oxazole-2-carboxylic acid MFCD28098432 AC1853 AKOS027324045

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.46
TPSA
63.33

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.1
Consensus LogP
1.24
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately 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)
-2.84

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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