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CAS 1144520-57-9 ethyl 2-chloro-5-methyloxazole-4-carboxylate molecular structure lightbox
CAS RN: 1144520-57-9

ethyl 2-chloro-5-methyloxazole-4-carboxylate

  • Product code: SSC-014236
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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 1144520-57-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1144520-57-9 / ethyl 2-chloro-5-methyl-1,3-oxazole-4-carboxylate

ethyl 2-chloro-5-methyl-1,3-oxazole-4-carboxylate | RefChem:594290 | 868-358-8

Standard CAS: 1144520-57-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1144520-57-9
Multi CAS
No
Molecular Formula
C7H8ClNO3
Molecular Weight
189.590000
Exact Mass
189.019271
SMILES
CCOC(=O)C1=C(OC(=N1)Cl)C
InChI
InChI=1S/C7H8ClNO3/c1-3-11-6(10)5-4(2)12-7(8)9-5/h3H2,1-2H3
InChIKey
IXPWETYWMRJUOF-UHFFFAOYSA-N
Synonyms
ethyl 2-chloro-5-methyl-1,3-oxazole-4-carboxylate RefChem:594290 868-358-8 ethyl 2-chloro-5-methyloxazole-4-carboxylate ethyl2-chloro-5-methyl-1,3-oxazole-4-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
42.21
TPSA
52.33

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
2.3
Consensus LogP
1.9
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately 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)
-2.59

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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