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CAS 104421-21-8 4-acetylphenyloxooxazolidinylmethylacetamide molecular structure lightbox
CAS RN: 104421-21-8

4-acetylphenyloxooxazolidinylmethylacetamide

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260628 100mg In stock Shanghai Inquiry
Batchno.20260319 250mg Out of stock Inquiry
Batchno.20250929 25mg In stock Shanghai Inquiry
Batchno.20251107 25mg / 100mg Out of stock 8-10 business days Inquiry
Batchno.20251116 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS104421-21-8
  • Purity/Analytical Methods: >99.0%
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104421-21-8 / N-[[(5S)-3-(4-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Dup 721 | N-[[3-(4-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide | N-((3-(4-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl)methyl)acetamide

Standard CAS: 104421-21-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104421-21-8
Multi CAS
Yes
Molecular Formula
C14H16N2O4
Molecular Weight
276.290000
Exact Mass
276.111007
SMILES
CC(=O)C1=CC=C(C=C1)N2C[C@@H](OC2=O)CNC(=O)C
InChI
InChI=1S/C14H16N2O4/c1-9(17)11-3-5-12(6-4-11)16-8-13(20-14(16)19)7-15-10(2)18/h3-6,13H,7-8H2,1-2H3,(H,15,18)/t13-/m0/s1
InChIKey
POXUJOYUVLWPQN-ZDUSSCGKSA-N
Synonyms
Dup 721 N-[[3-(4-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide N-((3-(4-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl)methyl)acetamide RefChem:97646 Dup-721

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72.75
TPSA
75.71

LogP / Solubility

WLOGP
1.35
MLOGP
1.2
XLogP3
0.5
Consensus LogP
1.02
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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