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CAS 113520-20-0 2-morpholinooxazolo[4,5-b]pyridine molecular structure lightbox
CAS RN: 113520-20-0

2-morpholinooxazolo[4,5-b]pyridine

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Batchno.20251213 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS113520-20-0
  • Purity/Analytical Methods: >99.0%
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113520-20-0 / 2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine

2-morpholinooxazolo[4,5-b]pyridine | 2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine | 2-MORPHOLINO[1,3]OXAZOLO[4,5-B]PYRIDINE

Standard CAS: 113520-20-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
113520-20-0
Multi CAS
No
Molecular Formula
C10H11N3O2
Molecular Weight
205.210000
Exact Mass
205.085127
SMILES
C1COCCN1C2=NC3=C(O2)C=CC=N3
InChI
InChI=1S/C10H11N3O2/c1-2-8-9(11-3-1)12-10(15-8)13-4-6-14-7-5-13/h1-3H,4-7H2
InChIKey
VKZARXNIZDHSLC-UHFFFAOYSA-N
Synonyms
2-morpholinooxazolo[4,5-b]pyridine 2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine 2-MORPHOLINO[1,3]OXAZOLO[4,5-B]PYRIDINE SCHEMBL16896312 HMS3445M13

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
54.84
TPSA
51.39

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1.1
Consensus LogP
1.03
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
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)
-3.22

Drug-likeness / Medicinal Chemistry

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

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