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CAS 1429334-00-8 AcetaMide, N-[[(5S)-2-oxo-3-[4-(3-oxo-4-Morpholinyl)phenyl]-5-oxazolidinyl]Methyl]- molecular structure lightbox
CAS RN: 1429334-00-8

AcetaMide, N-[[(5S)-2-oxo-3-[4-(3-oxo-4-Morpholinyl)phenyl]-5-oxazolidinyl]Methyl]-

  • Product code: SSC-054236
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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: 0.1g
  • Available purity: ≥95%
  • 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 1429334-00-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1429334-00-8 / N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide

Standard CAS: 1429334-00-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1429334-00-8
Multi CAS
No
Molecular Formula
C16H19N3O5
Molecular Weight
333.340000
Exact Mass
333.132471
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC=C(C=C2)N3CCOCC3=O
InChI
InChI=1S/C16H19N3O5/c1-11(20)17-8-14-9-19(16(22)24-14)13-4-2-12(3-5-13)18-6-7-23-10-15(18)21/h2-5,14H,6-10H2,1H3,(H,17,20)/t14-/m0/s1
InChIKey
ZINXMVCVGXRHDV-AWEZNQCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
85.91
TPSA
88.18

LogP / Solubility

WLOGP
0.51
MLOGP
0.47
XLogP3
-0.1
Consensus LogP
0.29
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-4.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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