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CAS 1060816-37-6 2-(Boc-amino)oxazole-4-carbaldehyde molecular structure lightbox
CAS RN: 1060816-37-6

2-(Boc-amino)oxazole-4-carbaldehyde

  • Product code: SSC-007901
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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, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1060816-37-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 3 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry

1060816-37-6 / tert-butyl N-(4-formyl-1,3-oxazol-2-yl)carbamate

2-(Boc-amino)oxazole-4-carbaldehyde | TERT-BUTYL 4-FORMYLOXAZOL-2-YLCARBAMATE | MFCD13189393

Standard CAS: 1060816-37-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060816-37-6
Multi CAS
No
Molecular Formula
C9H12N2O4
Molecular Weight
212.200000
Exact Mass
212.079707
SMILES
CC(C)(C)OC(=O)NC1=NC(=CO1)C=O
InChI
InChI=1S/C9H12N2O4/c1-9(2,3)15-8(13)11-7-10-6(4-12)5-14-7/h4-5H,1-3H3,(H,10,11,13)
InChIKey
DTBAXVGCDQDCFQ-UHFFFAOYSA-N
Synonyms
2-(Boc-amino)oxazole-4-carbaldehyde TERT-BUTYL 4-FORMYLOXAZOL-2-YLCARBAMATE MFCD13189393 tert-butyl N-(4-formyl-1,3-oxazol-2-yl)carbamate SCHEMBL12490750

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
51.75
TPSA
81.43

LogP / Solubility

WLOGP
1.83
MLOGP
1.62
XLogP3
1
Consensus LogP
1.48
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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