1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C15H24N4O4 — CID 70750534

IUPAC1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCc1noc(CNC(=O)C2CC(=O)N(C(C)(C)C)C2)n1
InChIInChI=1S/C15H24N4O4/c1-15(2,3)19-9-10(7-13(19)20)14(21)16-8-12-17-11(18-23-12)5-6-22-4/h10H,5-9H2,1-4H3,(H,16,21)
InChIKeyFUWCUODDWYHCLD-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.52
Rot. Bonds6

About 1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide

1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 70750534) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID70750534
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCc1noc(CNC(=O)C2CC(=O)N(C(C)(C)C)C2)n1
InChIInChI=1S/C15H24N4O4/c1-15(2,3)19-9-10(7-13(19)20)14(21)16-8-12-17-11(18-23-12)5-6-22-4/h10H,5-9H2,1-4H3,(H,16,21)
InChIKeyFUWCUODDWYHCLD-UHFFFAOYSA-N
XLogP0.52
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 70750534) is 1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide is COCCc1noc(CNC(=O)C2CC(=O)N(C(C)(C)C)C2)n1.
What is the InChIKey of 1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FUWCUODDWYHCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-15(2,3)19-9-10(7-13(19)20)14(21)16-8-12-17-11(18-23-12)5-6-22-4/h10H,5-9H2,1-4H3,(H,16,21).
What are the key properties of 1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70750534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).