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

C18H24N4O2 — CID 118784695

IUPAC3-(azepan-1-ylmethyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide
SMILESCc1nonc1CNC(=O)c1cccc(CN2CCCCCC2)c1
InChIInChI=1S/C18H24N4O2/c1-14-17(21-24-20-14)12-19-18(23)16-8-6-7-15(11-16)13-22-9-4-2-3-5-10-22/h6-8,11H,2-5,9-10,12-13H2,1H3,(H,19,23)
InChIKeyINQCCDHHDWRAJR-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.68
Rot. Bonds5

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

3-(azepan-1-ylmethyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide (PubChem CID 118784695) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(azepan-1-ylmethyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylmethyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide
PubChem CID118784695
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-(azepan-1-ylmethyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide
SMILESCc1nonc1CNC(=O)c1cccc(CN2CCCCCC2)c1
InChIInChI=1S/C18H24N4O2/c1-14-17(21-24-20-14)12-19-18(23)16-8-6-7-15(11-16)13-22-9-4-2-3-5-10-22/h6-8,11H,2-5,9-10,12-13H2,1H3,(H,19,23)
InChIKeyINQCCDHHDWRAJR-UHFFFAOYSA-N
XLogP2.68
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylmethyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide?
The IUPAC name of 3-(azepan-1-ylmethyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide (CID 118784695) is 3-(azepan-1-ylmethyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(azepan-1-ylmethyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-(azepan-1-ylmethyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide is Cc1nonc1CNC(=O)c1cccc(CN2CCCCCC2)c1.
What is the InChIKey of 3-(azepan-1-ylmethyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide?
The InChIKey is INQCCDHHDWRAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-17(21-24-20-14)12-19-18(23)16-8-6-7-15(11-16)13-22-9-4-2-3-5-10-22/h6-8,11H,2-5,9-10,12-13H2,1H3,(H,19,23).
What are the key properties of 3-(azepan-1-ylmethyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide?
3-(azepan-1-ylmethyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide has a molecular weight of 328.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylmethyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide is sourced from PubChem (CID 118784695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).