CAS RN: 214553-55-6
(2,4-DIMETHYLOXAZOL-5-YL)METHANOL
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251107 | 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND926469
214553-55-6 / (2,4-dimethyl-1,3-oxazol-5-yl)methanol
Basic Information
CAS
214553-55-6
Multi CAS
No
Molecular Formula
C6H9NO2
Molecular Weight
127.140000
Exact Mass
127.063329
SMILES
CC1=C(OC(=N1)C)CO
InChI
InChI=1S/C6H9NO2/c1-4-6(3-8)9-5(2)7-4/h8H,3H2,1-2H3
InChIKey
BFWHIILNKOBBPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.9
TPSA
46.26
LogP / Solubility
WLOGP
0.78
MLOGP
0.68
XLogP3
0.3
Consensus LogP
0.59
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
Class (SILICOS-IT)
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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