N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

C17H21N5O4 — CID 70761571

IUPACN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCOCc1noc(CCNC(=O)c2ccc(C)c(N3CCNC3=O)c2)n1
InChIInChI=1S/C17H21N5O4/c1-11-3-4-12(9-13(11)22-8-7-19-17(22)24)16(23)18-6-5-15-20-14(10-25-2)21-26-15/h3-4,9H,5-8,10H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyMAUDBFLZJXBXIC-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.03
Rot. Bonds7

About N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 70761571) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID70761571
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC NameN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCOCc1noc(CCNC(=O)c2ccc(C)c(N3CCNC3=O)c2)n1
InChIInChI=1S/C17H21N5O4/c1-11-3-4-12(9-13(11)22-8-7-19-17(22)24)16(23)18-6-5-15-20-14(10-25-2)21-26-15/h3-4,9H,5-8,10H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyMAUDBFLZJXBXIC-UHFFFAOYSA-N
XLogP1.03
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide (CID 70761571) is N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide is COCc1noc(CCNC(=O)c2ccc(C)c(N3CCNC3=O)c2)n1.
What is the InChIKey of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is MAUDBFLZJXBXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-11-3-4-12(9-13(11)22-8-7-19-17(22)24)16(23)18-6-5-15-20-14(10-25-2)21-26-15/h3-4,9H,5-8,10H2,1-2H3,(H,18,23)(H,19,24).
What are the key properties of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 359.39 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 70761571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).