tert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate

C17H28N2O4 — CID 103916048

IUPACtert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate
SMILESCCC1(OCc2cc(C)no2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H28N2O4/c1-6-17(21-12-14-11-13(2)18-23-14)7-9-19(10-8-17)15(20)22-16(3,4)5/h11H,6-10,12H2,1-5H3
InChIKeyQLSVGEXVCTUZKO-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.68
Rot. Bonds4

About tert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate

tert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate (PubChem CID 103916048) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is tert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate
PubChem CID103916048
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Nametert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate
SMILESCCC1(OCc2cc(C)no2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H28N2O4/c1-6-17(21-12-14-11-13(2)18-23-14)7-9-19(10-8-17)15(20)22-16(3,4)5/h11H,6-10,12H2,1-5H3
InChIKeyQLSVGEXVCTUZKO-UHFFFAOYSA-N
XLogP3.68
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate (CID 103916048) is tert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate is CCC1(OCc2cc(C)no2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate?
The InChIKey is QLSVGEXVCTUZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-6-17(21-12-14-11-13(2)18-23-14)7-9-19(10-8-17)15(20)22-16(3,4)5/h11H,6-10,12H2,1-5H3.
What are the key properties of tert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate?
tert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate has a molecular weight of 324.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 103916048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).