tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate

C16H27N3O4 — CID 103916132

IUPACtert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
SMILESCCc1noc(COC2(CC)CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C16H27N3O4/c1-6-12-17-13(23-18-12)10-21-16(7-2)8-9-19(11-16)14(20)22-15(3,4)5/h6-11H2,1-5H3
InChIKeyDBRHXESBXZTDFS-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.94
Rot. Bonds5

About tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate

tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate (PubChem CID 103916132) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
PubChem CID103916132
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nametert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
SMILESCCc1noc(COC2(CC)CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C16H27N3O4/c1-6-12-17-13(23-18-12)10-21-16(7-2)8-9-19(11-16)14(20)22-15(3,4)5/h6-11H2,1-5H3
InChIKeyDBRHXESBXZTDFS-UHFFFAOYSA-N
XLogP2.94
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-ethylpyrrolidine-1-carboxylate
CID 103916084
tert-butyl 4-ethyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidine-1-carboxylate
CID 103916065
tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 83207230
tert-butyl 3-ethyl-3-(1,3-thiazol-4-ylmethoxy)pyrrolidine-1-carboxylate
CID 83205985
tert-butyl 3-ethyl-3-[(1-ethylimidazol-2-yl)methoxy]pyrrolidine-1-carboxylate
CID 106938800
tert-butyl 3-ethyl-3-(2-methylprop-2-enoxy)pyrrolidine-1-carboxylate
CID 83206245
tert-butyl 3-ethyl-3-[(3-methylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 103916082
tert-butyl 3-(2,2-diethoxyethoxy)-3-ethylpyrrolidine-1-carboxylate
CID 103916089
tert-butyl 3-but-3-ynoxy-3-ethylpyrrolidine-1-carboxylate
CID 83207573
tert-butyl 3-ethyl-3-(5-hydroxypentoxy)pyrrolidine-1-carboxylate
CID 106938792
tert-butyl 3-ethyl-3-(3-ethylsulfonylpropoxy)pyrrolidine-1-carboxylate
CID 103916177
tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate
CID 103916056

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate (CID 103916132) is tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate is CCc1noc(COC2(CC)CCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate?
The InChIKey is DBRHXESBXZTDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-6-12-17-13(23-18-12)10-21-16(7-2)8-9-19(11-16)14(20)22-15(3,4)5/h6-11H2,1-5H3.
What are the key properties of tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate?
tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103916132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).