N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine

C14H21N5O — CID 50959826

IUPACN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCN(Cc1noc(C2CCC2)n1)Cc1nccn1C
InChIInChI=1S/C14H21N5O/c1-3-19(10-13-15-7-8-18(13)2)9-12-16-14(20-17-12)11-5-4-6-11/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyDGMCWBMHMWVIAF-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.09
Rot. Bonds6

About N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 50959826) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID50959826
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCN(Cc1noc(C2CCC2)n1)Cc1nccn1C
InChIInChI=1S/C14H21N5O/c1-3-19(10-13-15-7-8-18(13)2)9-12-16-14(20-17-12)11-5-4-6-11/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyDGMCWBMHMWVIAF-UHFFFAOYSA-N
XLogP2.09
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(1-ethyl-1H-imidazol-2-yl)-N-methyl-N-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine
CID 16191361
3-cyclohexyl-5-[(2-ethyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53164468
5-Cyclopropyl-3-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53566155
5-Cyclopropyl-3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53567324
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 53601583
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 53612535
3-[[4-[(1-Methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-5-propyl-1,2,4-oxadiazole
CID 53612620
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine
CID 53617715
3-[[4-[(1-Methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 53620241
1-(3-Imidazol-1-ylpiperidin-1-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 53625250
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71872452
5-Cyclopropyl-3-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 71878595

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 50959826) is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine is CCN(Cc1noc(C2CCC2)n1)Cc1nccn1C.
What is the InChIKey of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is DGMCWBMHMWVIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-19(10-13-15-7-8-18(13)2)9-12-16-14(20-17-12)11-5-4-6-11/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 275.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 50959826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).