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CAS 1037797-93-5 ethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)oxazole-4-carboxylate molecular structure lightbox
CAS RN: 1037797-93-5

ethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)oxazole-4-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260527 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINE926501
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1037797-93-5 / ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate

Ethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)oxazole-4-carboxylate | SCHEMBL1118173 | DB-429813

Standard CAS: 1037797-93-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1037797-93-5
Multi CAS
No
Molecular Formula
C16H24N2O5
Molecular Weight
324.370000
Exact Mass
324.168522
SMILES
CCOC(=O)C1=COC(=N1)C2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H24N2O5/c1-5-21-14(19)12-10-22-13(17-12)11-6-8-18(9-7-11)15(20)23-16(2,3)4/h10-11H,5-9H2,1-4H3
InChIKey
FAECNPOXBKWIPL-UHFFFAOYSA-N
Synonyms
Ethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)oxazole-4-carboxylate SCHEMBL1118173 DB-429813

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
82.24
TPSA
81.87

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
2.4
Consensus LogP
2.66
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

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

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