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CAS 1008-65-7 2-(1,3,4-OXADIAZOL-2-YL)PHENOL molecular structure lightbox
CAS RN: 1008-65-7

2-(1,3,4-OXADIAZOL-2-YL)PHENOL

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Batchno.20250317 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1008-65-7
  • Purity/Analytical Methods: >99.0%
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1008-65-7 / 2-(1,3,4-oxadiazol-2-yl)phenol

2-(1,3,4-Oxadiazol-2-yl)phenol | Fenadiazole | Fenadiazol

Standard CAS: 1008-65-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1008-65-7
Multi CAS
Yes
Molecular Formula
C8H6N2O2
Molecular Weight
162.150000
Exact Mass
162.042927
SMILES
C1=CC=C(C(=C1)C2=NN=CO2)O
InChI
InChI=1S/C8H6N2O2/c11-7-4-2-1-3-6(7)8-10-9-5-12-8/h1-5,11H
InChIKey
OINXXHYENYVYPB-UHFFFAOYSA-N
Synonyms
2-(1,3,4-Oxadiazol-2-yl)phenol Fenadiazole Fenadiazol Hypnazol Eudormil

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.4
TPSA
59.15

LogP / Solubility

WLOGP
1.44
MLOGP
1.26
XLogP3
1.1
Consensus LogP
1.27
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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