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CAS 122503-24-6 1,2,4-Oxadiazole, 3-methyl-5-(4-methylphenyl)- molecular structure lightbox
CAS RN: 122503-24-6

1,2,4-Oxadiazole, 3-methyl-5-(4-methylphenyl)-

  • Product code: SSC-025444
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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 122503-24-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

122503-24-6 / 3-methyl-5-(4-methylphenyl)-1,2,4-oxadiazole

Standard CAS: 122503-24-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122503-24-6
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
SMILES
CC1=CC=C(C=C1)C2=NC(=NO2)C
InChI
InChI=1S/C10H10N2O/c1-7-3-5-9(6-4-7)10-11-8(2)12-13-10/h3-6H,1-2H3
InChIKey
RLXAYNXHKQMMHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
49.21
TPSA
38.92

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
2.7
Consensus LogP
2.37
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.11

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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