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CAS 68981-86-2 4,5-DIHYDRO-4,4-DIMETHYL-2-(3-PYRIDYL)OXAZOLE molecular structure lightbox
CAS RN: 68981-86-2

4,5-DIHYDRO-4,4-DIMETHYL-2-(3-PYRIDYL)OXAZOLE

  • Product code: SSC-178611
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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: ＞97%
  • 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 68981-86-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

68981-86-2 / 4,4-dimethyl-2-pyridin-3-yl-5H-1,3-oxazole

Standard CAS: 68981-86-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68981-86-2
Multi CAS
No
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
InChI
InChI=1S/C10H12N2O/c1-10(2)7-13-9(12-10)8-4-3-5-11-6-8/h3-6H,7H2,1-2H3
InChIKey
XYABHURTMBEOGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.81
TPSA
34.48

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1
Consensus LogP
1.36
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.63

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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