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CAS 380499-66-1 4-[5-(4-DIMETHYLAMINOPHENYL)OXAZOL-2-YL]BENZENEBORONIC ACID 97 molecular structure lightbox
CAS RN: 380499-66-1

4-[5-(4-DIMETHYLAMINOPHENYL)OXAZOL-2-YL]BENZENEBORONIC ACID 97

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260414 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS380499-66-1
  • Purity/Analytical Methods: >99.0%
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380499-66-1 / [4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]phenyl]boronic acid

Standard CAS: 380499-66-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
380499-66-1
Multi CAS
Yes
Molecular Formula
BC17H17N2O3
Molecular Weight
308.100000
Exact Mass
308.133223
InChI
InChI=1S/C17H17BN2O3/c1-20(2)15-9-5-12(6-10-15)16-11-19-17(23-16)13-3-7-14(8-4-13)18(21)22/h3-11,21-22H,1-2H3
InChIKey
VONPEMBRCXBCNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
17
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
91.53
TPSA
69.73

LogP / Solubility

WLOGP
1.75
MLOGP
1.56
XLogP3
1.75
Consensus LogP
1.69
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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