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

C9H13N5O — CID 103511959

IUPACN-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(-c2cncn2C)n1
InChIInChI=1S/C9H13N5O/c1-3-10-5-8-12-9(15-13-8)7-4-11-6-14(7)2/h4,6,10H,3,5H2,1-2H3
InChIKeyFKUGEEQSNOPSRW-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.58
Rot. Bonds4

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

N-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 103511959) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
PubChem CID103511959
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(-c2cncn2C)n1
InChIInChI=1S/C9H13N5O/c1-3-10-5-8-12-9(15-13-8)7-4-11-6-14(7)2/h4,6,10H,3,5H2,1-2H3
InChIKeyFKUGEEQSNOPSRW-UHFFFAOYSA-N
XLogP0.58
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341778
2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 103511946
N-[[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342352
N-[[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342943
N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82902395
N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341977
N-[[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62921190
N-[[5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 104879940
N-[[5-(4-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62344158
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 103511982
N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine
CID 103510883

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 103511959) is N-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is CCNCc1noc(-c2cncn2C)n1.
What is the InChIKey of N-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The InChIKey is FKUGEEQSNOPSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-3-10-5-8-12-9(15-13-8)7-4-11-6-14(7)2/h4,6,10H,3,5H2,1-2H3.
What are the key properties of N-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
N-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine has a molecular weight of 207.24 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 103511959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).