![CAS 1048346-74-2 (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1048346-74-2.gif)
CAS RN: 1048346-74-2
(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251022 | 5mg / 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250827 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250307 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250901 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250905 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250223 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250809 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1048346-74-2
- Purity/Analytical Methods: >99.0%
1048346-74-2 / (4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
RO5166017 | (4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine | RO-5166017
Basic Information
CAS
1048346-74-2
Multi CAS
Yes
Molecular Formula
C12H17N3O
Molecular Weight
219.280000
Exact Mass
219.137162
SMILES
CCN(C[C@H]1COC(=N1)N)C2=CC=CC=C2
InChI
InChI=1S/C12H17N3O/c1-2-15(11-6-4-3-5-7-11)8-10-9-16-12(13)14-10/h3-7,10H,2,8-9H2,1H3,(H2,13,14)/t10-/m0/s1
InChIKey
PPONHQQJLWPUPH-JTQLQIEISA-N
Synonyms
RO5166017
(4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
RO-5166017
YK98JFQ52U
(4S)-4-((N-Ethylanilino)methyl)-4,5-dihydro-1,3-oxazol-2-amine
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.69
TPSA
50.85
LogP / Solubility
WLOGP
1.23
MLOGP
1.08
XLogP3
1.4
Consensus LogP
1.24
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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