CAS RN: 4866-00-6
4-METHYL-OXAZOLE-5-CARBOXYLIC ACID AMIDE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS4866-00-6
- Purity/Analytical Methods: >99.0%
4866-00-6 / 4-methyl-1,3-oxazole-5-carboxamide
Basic Information
CAS
4866-00-6
Multi CAS
Yes
Molecular Formula
C5H6N2O2
Molecular Weight
126.110000
Exact Mass
126.042927
InChI
InChI=1S/C5H6N2O2/c1-3-4(5(6)8)9-2-7-3/h2H,1H3,(H2,6,8)
InChIKey
HBKBZJZRIWAICY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
29.76
TPSA
69.12
LogP / Solubility
WLOGP
0.08
MLOGP
0.06
XLogP3
-0.1
Consensus LogP
0.01
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
Class (SILICOS-IT)
Very 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)
-3.43
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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