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

C19H24N4O3 — CID 70750335

IUPACN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NCc2noc(Cc3ccccc3)n2)CC1=O
InChIInChI=1S/C19H24N4O3/c1-19(2,3)23-12-14(10-17(23)24)18(25)20-11-15-21-16(26-22-15)9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,25)
InChIKeyXGMXTIZOOWBJEQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.92
Rot. Bonds5

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

N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 70750335) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID70750335
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NCc2noc(Cc3ccccc3)n2)CC1=O
InChIInChI=1S/C19H24N4O3/c1-19(2,3)23-12-14(10-17(23)24)18(25)20-11-15-21-16(26-22-15)9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,25)
InChIKeyXGMXTIZOOWBJEQ-UHFFFAOYSA-N
XLogP1.92
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide (CID 70750335) is N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(=O)NCc2noc(Cc3ccccc3)n2)CC1=O.
What is the InChIKey of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XGMXTIZOOWBJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-19(2,3)23-12-14(10-17(23)24)18(25)20-11-15-21-16(26-22-15)9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,25).
What are the key properties of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70750335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).