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

C14H23N3O4 — CID 102557395

IUPACmethyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC)CN1Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C14H23N3O4/c1-14(2,3)13-15-11(16-21-13)8-17-7-9(19-4)6-10(17)12(18)20-5/h9-10H,6-8H2,1-5H3
InChIKeyDOYNALZVCKKQHH-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.13
Rot. Bonds4

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

methyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypyrrolidine-2-carboxylate (PubChem CID 102557395) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is methyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypyrrolidine-2-carboxylate
PubChem CID102557395
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Namemethyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC)CN1Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C14H23N3O4/c1-14(2,3)13-15-11(16-21-13)8-17-7-9(19-4)6-10(17)12(18)20-5/h9-10H,6-8H2,1-5H3
InChIKeyDOYNALZVCKKQHH-UHFFFAOYSA-N
XLogP1.13
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypyrrolidine-2-carboxylate (CID 102557395) is methyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypyrrolidine-2-carboxylate is COC(=O)C1CC(OC)CN1Cc1noc(C(C)(C)C)n1.
What is the InChIKey of methyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypyrrolidine-2-carboxylate?
The InChIKey is DOYNALZVCKKQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-14(2,3)13-15-11(16-21-13)8-17-7-9(19-4)6-10(17)12(18)20-5/h9-10H,6-8H2,1-5H3.
What are the key properties of methyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypyrrolidine-2-carboxylate?
methyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypyrrolidine-2-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypyrrolidine-2-carboxylate is sourced from PubChem (CID 102557395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).