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CAS 118767-92-3 Oxazolo[5,4-b]pyridin-2(1H)-one (6CI,9CI) molecular structure lightbox
CAS RN: 118767-92-3

Oxazolo[5,4-b]pyridin-2(1H)-one (6CI,9CI)

  • Product code: SSC-018727
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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: 0.1g, 0.25g, 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 118767-92-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

118767-92-3 / 1H-[1,3]oxazolo[5,4-b]pyridin-2-one

oxazolopyridinone | RefChem:928355 | Oxazolo[5,4-b]pyridin-2(1H)-one

Standard CAS: 118767-92-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118767-92-3
Multi CAS
Yes
Molecular Formula
C6H4N2O2
Molecular Weight
136.110000
Exact Mass
136.027277
SMILES
C1=CC2=C(N=C1)OC(=O)N2
InChI
InChI=1S/C6H4N2O2/c9-6-8-4-2-1-3-7-5(4)10-6/h1-3H,(H,8,9)
InChIKey
XHYAKZQOCMEICX-UHFFFAOYSA-N
Synonyms
oxazolopyridinone RefChem:928355 Oxazolo[5,4-b]pyridin-2(1H)-one 1H-oxazolo[5,4-b]pyridin-2-one MFCD18427782

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.63
TPSA
58.89

LogP / Solubility

WLOGP
0.52
MLOGP
0.45
XLogP3
0.4
Consensus LogP
0.46
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very 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)
-3.18

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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