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CAS 1360616-36-9 tert-Butyl (4-(oxazol-5-yl)benzyl)carbamate molecular structure lightbox
CAS RN: 1360616-36-9

tert-Butyl (4-(oxazol-5-yl)benzyl)carbamate

  • Product code: SSC-044703
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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 1360616-36-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1360616-36-9 / tert-butyl N-[[4-(1,3-oxazol-5-yl)phenyl]methyl]carbamate

Standard CAS: 1360616-36-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1360616-36-9
Multi CAS
No
Molecular Formula
C15H18N2O3
Molecular Weight
274.310000
Exact Mass
274.131742
SMILES
CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C2=CN=CO2
InChI
InChI=1S/C15H18N2O3/c1-15(2,3)20-14(18)17-8-11-4-6-12(7-5-11)13-9-16-10-19-13/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChIKey
ZLQHDTLQLUCSCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.01
TPSA
64.36

LogP / Solubility

WLOGP
3.37
MLOGP
2.97
XLogP3
2.5
Consensus LogP
2.95
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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