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CAS 5378-30-3 1,3,4-OXADIAZOLE, 2-(3-METHOXYPHENYL)- molecular structure lightbox
CAS RN: 5378-30-3

1,3,4-OXADIAZOLE, 2-(3-METHOXYPHENYL)-

  • Product code: SSC-161165
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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: 5g
  • 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 5378-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

5378-30-3 / 2-(3-methoxyphenyl)-1,3,4-oxadiazole

Standard CAS: 5378-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5378-30-3
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
InChI
InChI=1S/C9H8N2O2/c1-12-8-4-2-3-7(5-8)9-11-10-6-13-9/h2-6H,1H3
InChIKey
HNLLIIVZVPRWMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
46.29
TPSA
48.15

LogP / Solubility

WLOGP
1.75
MLOGP
1.53
XLogP3
1.4
Consensus LogP
1.56
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.56

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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