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

C10H15N5O — CID 62222505

IUPACN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1noc(C)n1
InChIInChI=1S/C10H15N5O/c1-3-11-6-10-12-4-5-15(10)7-9-13-8(2)16-14-9/h4-5,11H,3,6-7H2,1-2H3
InChIKeyOCSZUXQCDCSZBX-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.73
Rot. Bonds5

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

N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 62222505) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
PubChem CID62222505
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC NameN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1noc(C)n1
InChIInChI=1S/C10H15N5O/c1-3-11-6-10-12-4-5-15(10)7-9-13-8(2)16-14-9/h4-5,11H,3,6-7H2,1-2H3
InChIKeyOCSZUXQCDCSZBX-UHFFFAOYSA-N
XLogP0.73
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine (CID 62222505) is N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine is CCNCc1nccn1Cc1noc(C)n1.
What is the InChIKey of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is OCSZUXQCDCSZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-11-6-10-12-4-5-15(10)7-9-13-8(2)16-14-9/h4-5,11H,3,6-7H2,1-2H3.
What are the key properties of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine?
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine has a molecular weight of 221.26 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62222505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).