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

C9H16N4O — CID 130563986

IUPAC(1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCN[C@@H](C)c1nc(N2CCCC2)no1
InChIInChI=1S/C9H16N4O/c1-7(10-2)8-11-9(12-14-8)13-5-3-4-6-13/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyNROQIZJWGFOYNF-ZETCQYMHSA-N
MW196.25 g/mol
LogP0.95
Rot. Bonds3

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

(1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 130563986) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID130563986
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCN[C@@H](C)c1nc(N2CCCC2)no1
InChIInChI=1S/C9H16N4O/c1-7(10-2)8-11-9(12-14-8)13-5-3-4-6-13/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyNROQIZJWGFOYNF-ZETCQYMHSA-N
XLogP0.95
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807285
1-amino-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116806822
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 116808746
N-methyl-1-[3-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081238
N-ethyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807179
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116808114
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 116808910
N-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116809152
(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915584
3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809180
1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 116808953
(1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 107565624

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of (1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 130563986) is (1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for (1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine is CN[C@@H](C)c1nc(N2CCCC2)no1.
What is the InChIKey of (1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is NROQIZJWGFOYNF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(10-2)8-11-9(12-14-8)13-5-3-4-6-13/h7,10H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine?
(1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 196.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 130563986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).