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CAS 5711-64-8 5-[3-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-AMINE molecular structure lightbox
CAS RN: 5711-64-8

5-[3-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-AMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251210 200mg In stock Shanghai Inquiry
  • Product code: starshine_CAS5711-64-8
  • Purity/Analytical Methods: >99.0%
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5711-64-8 / 5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

Standard CAS: 5711-64-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5711-64-8
Multi CAS
No
Molecular Formula
C9F3H6N3O
Molecular Weight
229.160000
Exact Mass
229.046296
InChI
InChI=1S/C9H6F3N3O/c10-9(11,12)6-3-1-2-5(4-6)7-14-15-8(13)16-7/h1-4H,(H2,13,15)
InChIKey
SFKXKVUEXCFQLZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.15
TPSA
64.94

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
1.9
Consensus LogP
2.1
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-2.46

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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