N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

C9H16N4O — CID 115081093

IUPACN-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCNC(C)c1nc(C2CCCN2)no1
InChIInChI=1S/C9H16N4O/c1-6(10-2)9-12-8(13-14-9)7-4-3-5-11-7/h6-7,10-11H,3-5H2,1-2H3
InChIKeyVBIOFKUCOMYECX-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.77
Rot. Bonds3

About N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 115081093) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID115081093
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCNC(C)c1nc(C2CCCN2)no1
InChIInChI=1S/C9H16N4O/c1-6(10-2)9-12-8(13-14-9)7-4-3-5-11-7/h6-7,10-11H,3-5H2,1-2H3
InChIKeyVBIOFKUCOMYECX-UHFFFAOYSA-N
XLogP0.77
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317308
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
CID 64982322
5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916536
5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317586
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081192
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
3-(azepan-2-yl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
CID 104541145
3-pyrrolidin-2-yl-5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazole
CID 55205851
5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 123446995
1-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 65353537
1-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 65415723

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 115081093) is N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is CNC(C)c1nc(C2CCCN2)no1.
What is the InChIKey of N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is VBIOFKUCOMYECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(10-2)9-12-8(13-14-9)7-4-3-5-11-7/h6-7,10-11H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 196.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 115081093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).