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

C9H13N5O — CID 62222506

IUPACN-[[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1ncon1
InChIInChI=1S/C9H13N5O/c1-2-10-5-9-11-3-4-14(9)6-8-12-7-15-13-8/h3-4,7,10H,2,5-6H2,1H3
InChIKeyFRVCYFYKWLWMHX-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.42
Rot. Bonds5

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

N-[[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methyl]ethanamine (PubChem CID 62222506) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methyl]ethanamine
PubChem CID62222506
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-[[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1ncon1
InChIInChI=1S/C9H13N5O/c1-2-10-5-9-11-3-4-14(9)6-8-12-7-15-13-8/h3-4,7,10H,2,5-6H2,1H3
InChIKeyFRVCYFYKWLWMHX-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methyl]ethanamine (CID 62222506) is N-[[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methyl]ethanamine is CCNCc1nccn1Cc1ncon1.
What is the InChIKey of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methyl]ethanamine?
The InChIKey is FRVCYFYKWLWMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-2-10-5-9-11-3-4-14(9)6-8-12-7-15-13-8/h3-4,7,10H,2,5-6H2,1H3.
What are the key properties of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methyl]ethanamine?
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methyl]ethanamine has a molecular weight of 207.24 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62222506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).