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

C9H17N3O2 — CID 88977391

IUPACN-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCN(CCOC)Cc1nc(C)no1
InChIInChI=1S/C9H17N3O2/c1-4-12(5-6-13-3)7-9-10-8(2)11-14-9/h4-7H2,1-3H3
InChIKeyVMLDHFOPTHWPQS-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.85
Rot. Bonds6

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

N-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 88977391) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID88977391
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCN(CCOC)Cc1nc(C)no1
InChIInChI=1S/C9H17N3O2/c1-4-12(5-6-13-3)7-9-10-8(2)11-14-9/h4-7H2,1-3H3
InChIKeyVMLDHFOPTHWPQS-UHFFFAOYSA-N
XLogP0.85
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 110929495
N-(2-methoxyethyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 59777393
1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
CID 62015929
N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine;hydrochloride
CID 119930437
2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 55227296
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 72892920
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113339840
2-methoxy-N-(2-methoxyethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 78807249
2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111103170
methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate
CID 78959151
2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79994683
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 78807499

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 88977391) is N-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CCN(CCOC)Cc1nc(C)no1.
What is the InChIKey of N-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is VMLDHFOPTHWPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-12(5-6-13-3)7-9-10-8(2)11-14-9/h4-7H2,1-3H3.
What are the key properties of N-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
N-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 199.25 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 88977391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).