CAS RN: 672310-08-6
(S)-ETHYL 5-(1-(BOC-AMINO)-2-PHENYLETHYL)OXAZOLE-4-CARBOXYLATE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS672310-08-6
- Purity/Analytical Methods: >99.0%
672310-08-6 / ethyl 5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3-oxazole-4-carboxylate
Basic Information
CAS
672310-08-6
Multi CAS
No
Molecular Formula
C19H24N2O5
Molecular Weight
360.400000
Exact Mass
360.168522
InChI
InChI=1S/C19H24N2O5/c1-5-24-17(22)15-16(25-12-20-15)14(11-13-9-7-6-8-10-13)21-18(23)26-19(2,3)4/h6-10,12,14H,5,11H2,1-4H3,(H,21,23)/t14-/m0/s1
InChIKey
UKQXDOWZSBHJKM-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
11
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
94.72
TPSA
90.66
LogP / Solubility
WLOGP
3.66
MLOGP
3.24
XLogP3
3.4
Consensus LogP
3.43
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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