N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine

C8H16N4O — CID 62687933

IUPACN'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCCc1nc(CN(C)CCN)no1
InChIInChI=1S/C8H16N4O/c1-3-8-10-7(11-13-8)6-12(2)5-4-9/h3-6,9H2,1-2H3
InChIKeyFDUIZBXFRUNUTE-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.02
Rot. Bonds5

About N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine

N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 62687933) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
PubChem CID62687933
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC NameN'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCCc1nc(CN(C)CCN)no1
InChIInChI=1S/C8H16N4O/c1-3-8-10-7(11-13-8)6-12(2)5-4-9/h3-6,9H2,1-2H3
InChIKeyFDUIZBXFRUNUTE-UHFFFAOYSA-N
XLogP0.02
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 91842487
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
[3-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750487
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86855936
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol
CID 115638140
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N'-dimethyl-N'-phenylethane-1,2-diamine
CID 120752884
1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955452
4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121020
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442230
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride
CID 120751614
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 91836620
5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole
CID 64787979

Frequently Asked Questions

What is the IUPAC name of N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine (CID 62687933) is N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine is CCc1nc(CN(C)CCN)no1.
What is the InChIKey of N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is FDUIZBXFRUNUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-3-8-10-7(11-13-8)6-12(2)5-4-9/h3-6,9H2,1-2H3.
What are the key properties of N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine?
N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 184.24 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62687933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).