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CAS 30093-99-3 4,4-Dimethyl-2-oxazoline molecular structure lightbox
CAS RN: 30093-99-3

4,4-Dimethyl-2-oxazoline

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251225 1g In stock Inquiry
Batchno.20250819 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250221 1ml / 5ml Out of stock 5-7 business days Inquiry
  • Product code: ICTD2742
  • Purity/Analytical Methods: >97.0%(GC)(T)
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30093-99-3 / 4,4-dimethyl-5H-1,3-oxazole

Standard CAS: 30093-99-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30093-99-3
Multi CAS
Yes
Molecular Formula
C5H9NO
Molecular Weight
99.130000
Exact Mass
99.068414
InChI
InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3
InChIKey
KOAMXHRRVFDWRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
H-bond acceptors
2
Molar refractivity
28.52
TPSA
21.59

LogP / Solubility

WLOGP
0.82
MLOGP
0.71
XLogP3
0.4
Consensus LogP
0.64
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-2.74

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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