2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine

C9H18N4O — CID 79077361

IUPAC2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
SMILESCCNCCc1nc(CN(C)C)no1
InChIInChI=1S/C9H18N4O/c1-4-10-6-5-9-11-8(12-14-9)7-13(2)3/h10H,4-7H2,1-3H3
InChIKeyHTKLUSVSPBPOIM-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.28
Rot. Bonds6

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

2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine (PubChem CID 79077361) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
PubChem CID79077361
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
SMILESCCNCCc1nc(CN(C)C)no1
InChIInChI=1S/C9H18N4O/c1-4-10-6-5-9-11-8(12-14-9)7-13(2)3/h10H,4-7H2,1-3H3
InChIKeyHTKLUSVSPBPOIM-UHFFFAOYSA-N
XLogP0.28
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 79078144
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60835612
1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
CID 79086275
N-[[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 79276679
2-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 62328475
1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 79086274
1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79085499
N-ethyl-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]ethanamine
CID 62336676
2-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63034936
2-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 66039933
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115773273

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine (CID 79077361) is 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine is CCNCCc1nc(CN(C)C)no1.
What is the InChIKey of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The InChIKey is HTKLUSVSPBPOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-4-10-6-5-9-11-8(12-14-9)7-13(2)3/h10H,4-7H2,1-3H3.
What are the key properties of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine has a molecular weight of 198.27 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 79077361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).