![CAS 168828-84-0 (R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/168828-84-0.png)
CAS RN: 168828-84-0
(R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260304 | 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR927059
168828-84-0 / (5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
Basic Information
CAS
168828-84-0
Multi CAS
No
Molecular Formula
C14H16FN5O3
Molecular Weight
321.310000
Exact Mass
321.123718
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CN=[N+]=[N-])F
InChI
InChI=1S/C14H16FN5O3/c15-12-7-10(1-2-13(12)19-3-5-22-6-4-19)20-9-11(8-17-18-16)23-14(20)21/h1-2,7,11H,3-6,8-9H2/t11-/m0/s1
InChIKey
FQUBFDDPWLBKIZ-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
81.06
TPSA
90.77
LogP / Solubility
WLOGP
2.3
MLOGP
2.04
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501
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