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CAS 1154060-49-7 Methyl 4-[Oxazolo[4,5-c]pyridin-2-yl]benzoate molecular structure lightbox
CAS RN: 1154060-49-7

Methyl 4-[Oxazolo[4,5-c]pyridin-2-yl]benzoate

  • Product code: SSC-015162
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1154060-49-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1154060-49-7 / methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate

Methyl 4-[Oxazolo[4,5-c]pyridin-2-yl]benzoate | MFCD26397991 | Methyl4-[Oxazolo[4,5-c]pyridin-2-yl]benzoate

Standard CAS: 1154060-49-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1154060-49-7
Multi CAS
No
Molecular Formula
C14H10N2O3
Molecular Weight
254.240000
Exact Mass
254.069142
SMILES
COC(=O)C1=CC=C(C=C1)C2=NC3=C(O2)C=CN=C3
InChI
InChI=1S/C14H10N2O3/c1-18-14(17)10-4-2-9(3-5-10)13-16-11-8-15-7-6-12(11)19-13/h2-8H,1H3
InChIKey
TXTLHTXOYPDPDL-UHFFFAOYSA-N
Synonyms
Methyl 4-[Oxazolo[4,5-c]pyridin-2-yl]benzoate MFCD26397991 Methyl4-[Oxazolo[4,5-c]pyridin-2-yl]benzoate methyl 4-(oxazolo[4,5-c]pyridin-2-yl)benzoate methyl 4-([1,3]oxazolo[4,5-c]pyridin-2-yl)benzoate

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
68.58
TPSA
65.22

LogP / Solubility

WLOGP
2.68
MLOGP
2.36
XLogP3
2.3
Consensus LogP
2.45
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

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

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