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: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
119162-45-7 / 3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine | 5-Amino-3-(2,4-dimethylphenyl)isoxazole | UEA16245
Basic Information
CAS
119162-45-7
Multi CAS
No
Molecular Formula
C11H12N2O
Molecular Weight
188.230000
Exact Mass
188.094963
SMILES
CC1=CC(=C(C=C1)C2=NOC(=C2)N)C
InChI
InChI=1S/C11H12N2O/c1-7-3-4-9(8(2)5-7)10-6-11(12)14-13-10/h3-6H,12H2,1-2H3
InChIKey
JKTVJJPNQSFFDB-UHFFFAOYSA-N
Synonyms
3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
5-Amino-3-(2,4-dimethylphenyl)isoxazole
UEA16245
MFCD07382876
AKOS000261608
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.83
TPSA
52.05
LogP / Solubility
WLOGP
2.54
MLOGP
2.23
XLogP3
2.4
Consensus LogP
2.39
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
