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

C14H23N3O4 — CID 83207230

IUPACtert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
SMILESCc1noc(COC2(C)CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C14H23N3O4/c1-10-15-11(21-16-10)8-19-14(5)6-7-17(9-14)12(18)20-13(2,3)4/h6-9H2,1-5H3
InChIKeyKJOHZKVTOABEBJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.29
Rot. Bonds3

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

tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate (PubChem CID 83207230) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
PubChem CID83207230
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nametert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
SMILESCc1noc(COC2(C)CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C14H23N3O4/c1-10-15-11(21-16-10)8-19-14(5)6-7-17(9-14)12(18)20-13(2,3)4/h6-9H2,1-5H3
InChIKeyKJOHZKVTOABEBJ-UHFFFAOYSA-N
XLogP2.29
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3R)-3-methyl-3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 99791968
tert-butyl 3-methyl-3-(1,2-oxazol-5-ylmethoxy)pyrrolidine-1-carboxylate
CID 83207577
tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 107044470
tert-butyl 3-methyl-3-[(1-methylpyrazol-4-yl)methoxy]pyrrolidine-1-carboxylate
CID 83206642
tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 103916132
tert-butyl 3-methyl-3-prop-2-ynoxypyrrolidine-1-carboxylate
CID 83206134
tert-butyl 3-methyl-3-(pyridin-3-ylmethoxy)pyrrolidine-1-carboxylate
CID 83207669
tert-butyl 3-methyl-3-[2-(2-methylimidazol-1-yl)ethoxy]pyrrolidine-1-carboxylate
CID 103916252
tert-butyl 3-[(1-ethylimidazol-2-yl)methoxy]-3-methylpyrrolidine-1-carboxylate
CID 106938825
tert-butyl 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylpiperidine-1-carboxylate
CID 106940659
tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 103916206
tert-butyl 3-methyl-3-(2-phenoxyethoxy)pyrrolidine-1-carboxylate
CID 103916198

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate (CID 83207230) is tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate is Cc1noc(COC2(C)CCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate?
The InChIKey is KJOHZKVTOABEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-10-15-11(21-16-10)8-19-14(5)6-7-17(9-14)12(18)20-13(2,3)4/h6-9H2,1-5H3.
What are the key properties of tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate?
tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 83207230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).