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

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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).