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CAS 1188228-02-5 3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-ol molecular structure lightbox
CAS RN: 1188228-02-5

3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-ol

  • Product code: SSC-019018
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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 1188228-02-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1188228-02-5 / 3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one

3-[4-(Trifluoromethyl)phenyl]-1,2-oxazol-5-ol | MFCD21334966 | 5-Hydroxy-3-[4-(trifluoromethyl)phenyl]isoxazole

Standard CAS: 1188228-02-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1188228-02-5
Multi CAS
No
Molecular Formula
C10H6F3NO2
Molecular Weight
229.150000
Exact Mass
229.035063
SMILES
C1=CC(=CC=C1C2=CC(=O)ON2)C(F)(F)F
InChI
InChI=1S/C10H6F3NO2/c11-10(12,13)7-3-1-6(2-4-7)8-5-9(15)16-14-8/h1-5,14H
InChIKey
LSKLCLDRCANOKJ-UHFFFAOYSA-N
Synonyms
3-[4-(Trifluoromethyl)phenyl]-1,2-oxazol-5-ol MFCD21334966 5-Hydroxy-3-[4-(trifluoromethyl)phenyl]isoxazole 3-(4-(Trifluoromethyl)phenyl)isoxazol-5-ol 5-Hydroxy-3-[4-(trifluoromethyl)phenyl]isoxazol

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.77
TPSA
46

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.8
Consensus LogP
2.6
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

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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