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CAS 10185-69-0 3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)ANILINE molecular structure lightbox
CAS RN: 10185-69-0

3-(5-METHYL-1,2,4-OXADIAZOL-3-YL)ANILINE

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250815 100mg In stock Shanghai Inquiry
Batchno.20250426 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250628 1g In stock Shanghai Inquiry
Batchno.20250709 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS10185-69-0
  • Purity/Analytical Methods: >99.0%
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10185-69-0 / 3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline

3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline | DTXSID00465372 | RefChem:274951

Standard CAS: 10185-69-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10185-69-0
Multi CAS
No
Molecular Formula
C9H9N3O
Molecular Weight
175.190000
Exact Mass
175.074562
SMILES
CC1=NC(=NO1)C2=CC(=CC=C2)N
InChI
InChI=1S/C9H9N3O/c1-6-11-9(12-13-6)7-3-2-4-8(10)5-7/h2-5H,10H2,1H3
InChIKey
CTRGRIHPFAVSOF-UHFFFAOYSA-N
Synonyms
3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline DTXSID00465372 RefChem:274951 DTXCID90416191 831-412-6

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.88
TPSA
64.94

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
1.7
Consensus LogP
1.59
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): 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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