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CAS 130775-30-3 N-(2-(TERT-BUTYL)OXAZOL-4-YL)PIVALAMIDE molecular structure lightbox
CAS RN: 130775-30-3

N-(2-(TERT-BUTYL)OXAZOL-4-YL)PIVALAMIDE

  • Product code: SSC-037335
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 130775-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Hong Kong Inquiry

130775-30-3 / N-(2-tert-butyl-1,3-oxazol-4-yl)-2,2-dimethylpropanamide

Standard CAS: 130775-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130775-30-3
Multi CAS
No
Molecular Formula
C12H20N2O2
Molecular Weight
224.300000
Exact Mass
224.152478
SMILES
CC(C)(C)C1=NC(=CO1)NC(=O)C(C)(C)C
InChI
InChI=1S/C12H20N2O2/c1-11(2,3)9(15)13-8-7-16-10(14-8)12(4,5)6/h7H,1-6H3,(H,13,15)
InChIKey
FQTLDZBGFVPMMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.29
TPSA
55.13

LogP / Solubility

WLOGP
2.96
MLOGP
2.6
XLogP3
3
Consensus LogP
2.85
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly 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)
-1.99

Drug-likeness / Medicinal Chemistry

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

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