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CAS 332063-87-3 (E)-3-(furan-2-yl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)prop-2-enamide molecular structure lightbox
CAS RN: 332063-87-3

(E)-3-(furan-2-yl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)prop-2-enamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260609 5mg / 25mg / 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS332063-87-3
  • Purity/Analytical Methods: >99.0%
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332063-87-3 / (E)-3-(furan-2-yl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)prop-2-enamide

Standard CAS: 332063-87-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
332063-87-3
Multi CAS
Yes
Molecular Formula
C19H13N3O3
Molecular Weight
331.300000
Exact Mass
331.095691
InChI
InChI=1S/C19H13N3O3/c23-18(6-4-15-2-1-11-24-15)21-14-3-5-17-16(12-14)22-19(25-17)13-7-9-20-10-8-13/h1-12H,(H,21,23)/b6-4+
InChIKey
QSSYRORXXFTVFI-GQCTYLIASA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
20
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
93.61
TPSA
81.16

LogP / Solubility

WLOGP
4.13
MLOGP
3.65
XLogP3
2.7
Consensus LogP
3.49
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
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
No
Log Kp (skin permeation)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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