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

C9H13N5O — CID 103744630

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCn1ccnc1CNCCc1ncno1
InChIInChI=1S/C9H13N5O/c1-14-5-4-11-8(14)6-10-3-2-9-12-7-13-15-9/h4-5,7,10H,2-3,6H2,1H3
InChIKeyJSFXOHJZUUWZKL-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.14
Rot. Bonds5

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

N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 103744630) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID103744630
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCn1ccnc1CNCCc1ncno1
InChIInChI=1S/C9H13N5O/c1-14-5-4-11-8(14)6-10-3-2-9-12-7-13-15-9/h4-5,7,10H,2-3,6H2,1H3
InChIKeyJSFXOHJZUUWZKL-UHFFFAOYSA-N
XLogP0.14
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.14
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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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 103744630) is N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is Cn1ccnc1CNCCc1ncno1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is JSFXOHJZUUWZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-14-5-4-11-8(14)6-10-3-2-9-12-7-13-15-9/h4-5,7,10H,2-3,6H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 207.24 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 103744630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).