N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

C18H22N4O3 — CID 72865994

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
SMILESCCc1nnc(CN(C)C(=O)CN2CC(c3ccccc3)CC2=O)o1
InChIInChI=1S/C18H22N4O3/c1-3-15-19-20-16(25-15)11-21(2)18(24)12-22-10-14(9-17(22)23)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3
InChIKeyFRMKQOWHZCVTDG-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.61
Rot. Bonds6

About N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide (PubChem CID 72865994) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
PubChem CID72865994
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
SMILESCCc1nnc(CN(C)C(=O)CN2CC(c3ccccc3)CC2=O)o1
InChIInChI=1S/C18H22N4O3/c1-3-15-19-20-16(25-15)11-21(2)18(24)12-22-10-14(9-17(22)23)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3
InChIKeyFRMKQOWHZCVTDG-UHFFFAOYSA-N
XLogP1.61
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide (CID 72865994) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide is CCc1nnc(CN(C)C(=O)CN2CC(c3ccccc3)CC2=O)o1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The InChIKey is FRMKQOWHZCVTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-15-19-20-16(25-15)11-21(2)18(24)12-22-10-14(9-17(22)23)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 72865994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).