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CAS 1060814-32-5 4-Isoxazol-3-yl-piperidine molecular structure lightbox
CAS RN: 1060814-32-5

4-Isoxazol-3-yl-piperidine

  • Product code: SSC-007856
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1060814-32-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1060814-32-5 / 3-piperidin-4-yl-1,2-oxazole

4-ISOXAZOL-3-YL-PIPERIDINE | 3-piperidin-4-yl-1,2-oxazole | 3-(PIPERIDIN-4-YL)ISOXAZOLE

Standard CAS: 1060814-32-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060814-32-5
Multi CAS
No
Molecular Formula
C8H12N2O
Molecular Weight
152.190000
Exact Mass
152.094963
SMILES
C1CNCCC1C2=NOC=C2
InChI
InChI=1S/C8H12N2O/c1-4-9-5-2-7(1)8-3-6-11-10-8/h3,6-7,9H,1-2,4-5H2
InChIKey
KGDGSULSAJSJRK-UHFFFAOYSA-N
Synonyms
4-ISOXAZOL-3-YL-PIPERIDINE 3-piperidin-4-yl-1,2-oxazole 3-(PIPERIDIN-4-YL)ISOXAZOLE 3-(4-Piperidinyl)isoxazole 4-(1,2-OXAZOL-3-YL)PIPERIDINE

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.35
TPSA
38.06

LogP / Solubility

WLOGP
1.14
MLOGP
1
XLogP3
0.5
Consensus LogP
0.88
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-2.84

Drug-likeness / Medicinal Chemistry

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

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