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CAS 1186127-15-0 Ethyl 2-(5-Oxazolyl)benzoate molecular structure lightbox
CAS RN: 1186127-15-0

Ethyl 2-(5-Oxazolyl)benzoate

  • Product code: SSC-018468
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1186127-15-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Beijing Inquiry

1186127-15-0 / ethyl 2-(1,3-oxazol-5-yl)benzoate

Ethyl 2-(5-Oxazolyl)benzoate | Ethyl 2-(oxazol-5-yl)benzoate | Ethyl 2-(1,3-oxazol-5-yl)benzoate

Standard CAS: 1186127-15-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1186127-15-0
Multi CAS
Yes
Molecular Formula
C12H11NO3
Molecular Weight
217.220000
Exact Mass
217.073893
SMILES
CCOC(=O)C1=CC=CC=C1C2=CN=CO2
InChI
InChI=1S/C12H11NO3/c1-2-15-12(14)10-6-4-3-5-9(10)11-7-13-8-16-11/h3-8H,2H2,1H3
InChIKey
DDAYJSSVCMBMFB-UHFFFAOYSA-N
Synonyms
Ethyl 2-(5-Oxazolyl)benzoate Ethyl 2-(oxazol-5-yl)benzoate Ethyl 2-(1,3-oxazol-5-yl)benzoate MFCD18375300 ETHYL2-(5-OXAZOLYL)BENZOATE

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
57.9
TPSA
52.33

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.2
Consensus LogP
2.31
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.26

Drug-likeness / Medicinal Chemistry

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

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