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

C12H19N5O — CID 114185716

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1CNCCc1noc(C)n1
InChIInChI=1S/C12H19N5O/c1-3-6-17-9-14-8-11(17)7-13-5-4-12-15-10(2)18-16-12/h8-9,13H,3-7H2,1-2H3
InChIKeyTYYVRTQYWGVRHX-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.32
Rot. Bonds7

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

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine (PubChem CID 114185716) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
PubChem CID114185716
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1CNCCc1noc(C)n1
InChIInChI=1S/C12H19N5O/c1-3-6-17-9-14-8-11(17)7-13-5-4-12-15-10(2)18-16-12/h8-9,13H,3-7H2,1-2H3
InChIKeyTYYVRTQYWGVRHX-UHFFFAOYSA-N
XLogP1.32
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 80681547
2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66131187
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979
2-(5-chlorothiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 106042132
N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine
CID 66131160
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395446
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine
CID 114180159
2-[(3-propylimidazol-4-yl)methylamino]ethanesulfonamide
CID 66135415
1,1-dimethyl-3-[2-[(3-propylimidazol-4-yl)methylamino]ethyl]urea
CID 83116947
2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 106259901

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine (CID 114185716) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine is CCCn1cncc1CNCCc1noc(C)n1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The InChIKey is TYYVRTQYWGVRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-6-17-9-14-8-11(17)7-13-5-4-12-15-10(2)18-16-12/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine has a molecular weight of 249.32 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114185716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).