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

C12H19N5O — CID 91837460

IUPACN-[(3-ethylimidazol-4-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCN(Cc1noc(C)n1)Cc1cncn1CC
InChIInChI=1S/C12H19N5O/c1-4-16(8-12-14-10(3)18-15-12)7-11-6-13-9-17(11)5-2/h6,9H,4-5,7-8H2,1-3H3
InChIKeyHVJQZEPAISNSEL-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.62
Rot. Bonds6

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

N-[(3-ethylimidazol-4-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 91837460) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID91837460
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCN(Cc1noc(C)n1)Cc1cncn1CC
InChIInChI=1S/C12H19N5O/c1-4-16(8-12-14-10(3)18-15-12)7-11-6-13-9-17(11)5-2/h6,9H,4-5,7-8H2,1-3H3
InChIKeyHVJQZEPAISNSEL-UHFFFAOYSA-N
XLogP1.62
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

4-(1-isobutyl-4-methyl-1H-imidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 11615485
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71928311
5-Cyclopropyl-3-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72122819
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 72122896
3-[1-[(5-Methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 72149368
5-Ethyl-3-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72149421
5-Methyl-3-[1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72149538
5-ethyl-3-{2-[4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl}-1,2,4-oxadiazole
CID 72884296
2-[(1-Methylimidazol-4-yl)methyl]-1,2-oxazolidin-3-one
CID 19987495
2-[(1-Methyl-1H-imidazol-5-yl)methyl]-1,2-oxazolidin-3-one
CID 19987497
1H-Imidazole, 1,1'-(1,2-dioxo-1,2-ethanediyl)bis[4-methyl-
CID 10353319
1-(5-isopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 56712179

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 91837460) is N-[(3-ethylimidazol-4-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is CCN(Cc1noc(C)n1)Cc1cncn1CC.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is HVJQZEPAISNSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-16(8-12-14-10(3)18-15-12)7-11-6-13-9-17(11)5-2/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
N-[(3-ethylimidazol-4-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 249.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 91837460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).