CAS RN: 103788-64-3
METHYL 2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ACETATE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250503 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS103788-64-3
- Purity/Analytical Methods: >99.0%
103788-64-3 / methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
Methyl (5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate | DTXSID00379521 | RefChem:353101
Basic Information
CAS
103788-64-3
Multi CAS
No
Molecular Formula
C13H13NO3
Molecular Weight
231.250000
Exact Mass
231.089543
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)OC
InChI
InChI=1S/C13H13NO3/c1-9-11(8-12(15)16-2)14-13(17-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey
UDWQWRFEUXUBHR-UHFFFAOYSA-N
Synonyms
Methyl (5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
DTXSID00379521
RefChem:353101
DTXCID10330547
methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
62.4
TPSA
52.33
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
2.2
Consensus LogP
2.22
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
