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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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).