N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

C18H22N4O4 — CID 71853160

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOCCc1noc(CN(C)C(=O)c2cccc(N3CCCC3=O)c2)n1
InChIInChI=1S/C18H22N4O4/c1-21(12-16-19-15(20-26-16)8-10-25-2)18(24)13-5-3-6-14(11-13)22-9-4-7-17(22)23/h3,5-6,11H,4,7-10,12H2,1-2H3
InChIKeyVOYJFBNCEKEUIV-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.66
Rot. Bonds7

About N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 71853160) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID71853160
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOCCc1noc(CN(C)C(=O)c2cccc(N3CCCC3=O)c2)n1
InChIInChI=1S/C18H22N4O4/c1-21(12-16-19-15(20-26-16)8-10-25-2)18(24)13-5-3-6-14(11-13)22-9-4-7-17(22)23/h3,5-6,11H,4,7-10,12H2,1-2H3
InChIKeyVOYJFBNCEKEUIV-UHFFFAOYSA-N
XLogP1.66
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (CID 71853160) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is COCCc1noc(CN(C)C(=O)c2cccc(N3CCCC3=O)c2)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is VOYJFBNCEKEUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-21(12-16-19-15(20-26-16)8-10-25-2)18(24)13-5-3-6-14(11-13)22-9-4-7-17(22)23/h3,5-6,11H,4,7-10,12H2,1-2H3.
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 358.40 g/mol, XLogP of 1.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 71853160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).