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CAS 1060816-06-9 ethyl 2-tert-butyloxazole-4-carboxylate molecular structure lightbox
CAS RN: 1060816-06-9

ethyl 2-tert-butyloxazole-4-carboxylate

  • Product code: SSC-007895
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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 1060816-06-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1060816-06-9 / ethyl 2-tert-butyl-1,3-oxazole-4-carboxylate

Ethyl 2-(tert-butyl)oxazole-4-carboxylate | ETHYL 2-TERT-BUTYLOXAZOLE-4-CARBOXYLATE | MFCD11976752

Standard CAS: 1060816-06-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060816-06-9
Multi CAS
No
Molecular Formula
C10H15NO3
Molecular Weight
197.230000
Exact Mass
197.105193
SMILES
CCOC(=O)C1=COC(=N1)C(C)(C)C
InChI
InChI=1S/C10H15NO3/c1-5-13-8(12)7-6-14-9(11-7)10(2,3)4/h6H,5H2,1-4H3
InChIKey
BJTVYCOSDITBDH-UHFFFAOYSA-N
Synonyms
Ethyl 2-(tert-butyl)oxazole-4-carboxylate ETHYL 2-TERT-BUTYLOXAZOLE-4-CARBOXYLATE MFCD11976752 Ethyl2-(tert-butyl)oxazole-4-carboxylate SCHEMBL5313521

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
51.16
TPSA
52.33

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
2.6
Consensus LogP
2.21
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-2.4

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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