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

C10H15N5O — CID 106395446

IUPACN-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCCn1cncc1CNCCc1ncon1
InChIInChI=1S/C10H15N5O/c1-2-15-7-12-6-9(15)5-11-4-3-10-13-8-16-14-10/h6-8,11H,2-5H2,1H3
InChIKeyCTMGZDNWOXKHLG-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.62
Rot. Bonds6

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

N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106395446) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106395446
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCCn1cncc1CNCCc1ncon1
InChIInChI=1S/C10H15N5O/c1-2-15-7-12-6-9(15)5-11-4-3-10-13-8-16-14-10/h6-8,11H,2-5H2,1H3
InChIKeyCTMGZDNWOXKHLG-UHFFFAOYSA-N
XLogP0.62
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.62
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

N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396816
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
2-(1,2,4-oxadiazol-3-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 106395418
2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 80681547
N-[(1-ethylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395909
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 114185716
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
CID 66117366
N-[(3-ethylimidazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516463
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395442
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500
2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
CID 66135055

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 106395446) is N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is CCn1cncc1CNCCc1ncon1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is CTMGZDNWOXKHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-2-15-7-12-6-9(15)5-11-4-3-10-13-8-16-14-10/h6-8,11H,2-5H2,1H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 221.26 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106395446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).