[email protected]
CAS 20852-38-4 N,N-Diethylbenzoxazole-2-amine molecular structure lightbox
CAS RN: 20852-38-4

N,N-Diethylbenzoxazole-2-amine

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260518 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS20852-38-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

20852-38-4 / N,N-diethyl-1,3-benzoxazol-2-amine

Standard CAS: 20852-38-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20852-38-4
Multi CAS
No
Molecular Formula
C11H14N2O
Molecular Weight
190.240000
Exact Mass
190.110613
SMILES
CCN(CC)C1=NC2=CC=CC=C2O1
InChI
InChI=1S/C11H14N2O/c1-3-13(4-2)11-12-9-7-5-6-8-10(9)14-11/h5-8H,3-4H2,1-2H3
InChIKey
LQGJLZVVRFSUBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
57.57
TPSA
29.27

LogP / Solubility

WLOGP
2.67
MLOGP
2.35
XLogP3
2.8
Consensus LogP
2.61
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us