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CAS 1119451-10-3 (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanol molecular structure lightbox
CAS RN: 1119451-10-3

(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanol

  • Product code: SSC-012421
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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 1119451-10-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1119451-10-3 / (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanol

(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanol | [3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methanol | MFCD12027101

Standard CAS: 1119451-10-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1119451-10-3
Multi CAS
No
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
SMILES
C1=CC(=CN=C1)C2=NOC(=N2)CO
InChI
InChI=1S/C8H7N3O2/c12-5-7-10-8(11-13-7)6-2-1-3-9-4-6/h1-4,12H,5H2
InChIKey
TXGJQRAXYKPEMF-UHFFFAOYSA-N
Synonyms
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanol [3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methanol MFCD12027101 [3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methanol (3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl)methanol

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
43.45
TPSA
72.04

LogP / Solubility

WLOGP
0.62
MLOGP
0.55
XLogP3
-0.1
Consensus LogP
0.36
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
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)
-3.36

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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