1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone

C18H28N6O2 — CID 128998516

IUPAC1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone
SMILESCCN(Cc1noc(C)n1)C1CCCN(C(=O)Cc2ccn(C)n2)CC1
InChIInChI=1S/C18H28N6O2/c1-4-23(13-17-19-14(2)26-21-17)16-6-5-9-24(11-8-16)18(25)12-15-7-10-22(3)20-15/h7,10,16H,4-6,8-9,11-13H2,1-3H3
InChIKeyRXWFBDSQJGLSKP-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.56
Rot. Bonds6

About 1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone

1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone (PubChem CID 128998516) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone
PubChem CID128998516
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone
SMILESCCN(Cc1noc(C)n1)C1CCCN(C(=O)Cc2ccn(C)n2)CC1
InChIInChI=1S/C18H28N6O2/c1-4-23(13-17-19-14(2)26-21-17)16-6-5-9-24(11-8-16)18(25)12-15-7-10-22(3)20-15/h7,10,16H,4-6,8-9,11-13H2,1-3H3
InChIKeyRXWFBDSQJGLSKP-UHFFFAOYSA-N
XLogP1.56
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone (CID 128998516) is 1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone is CCN(Cc1noc(C)n1)C1CCCN(C(=O)Cc2ccn(C)n2)CC1.
What is the InChIKey of 1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is RXWFBDSQJGLSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-4-23(13-17-19-14(2)26-21-17)16-6-5-9-24(11-8-16)18(25)12-15-7-10-22(3)20-15/h7,10,16H,4-6,8-9,11-13H2,1-3H3.
What are the key properties of 1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone?
1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 360.46 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]-2-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 128998516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).