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CAS 1574285-36-1 4-Oxazolemethanol, 2-[4-(difluoromethoxy)-3-(1-methylethoxy)phenyl]- molecular structure lightbox
CAS RN: 1574285-36-1

4-Oxazolemethanol, 2-[4-(difluoromethoxy)-3-(1-methylethoxy)phenyl]-

  • Product code: SSC-066409
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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: 0.25g
  • 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 1574285-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1574285-36-1 / [2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methanol

Standard CAS: 1574285-36-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1574285-36-1
Multi CAS
No
Molecular Formula
C14H15F2NO4
Molecular Weight
299.270000
Exact Mass
299.096914
SMILES
CC(C)OC1=C(C=CC(=C1)C2=NC(=CO2)CO)OC(F)F
InChI
InChI=1S/C14H15F2NO4/c1-8(2)20-12-5-9(3-4-11(12)21-14(15)16)13-17-10(6-18)7-19-13/h3-5,7-8,14,18H,6H2,1-2H3
InChIKey
UBKWJLUYNNFPMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.26
TPSA
64.72

LogP / Solubility

WLOGP
3.22
MLOGP
2.85
XLogP3
2.8
Consensus LogP
2.96
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly 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
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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