N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine

C9H16N4O — CID 116808345

IUPACN-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(C2CCNC2)n1
InChIInChI=1S/C9H16N4O/c1-3-13(2)9-11-8(14-12-9)7-4-5-10-6-7/h7,10H,3-6H2,1-2H3
InChIKeyYOJUUBXDIHULLM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.60
Rot. Bonds3

About N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine

N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine (PubChem CID 116808345) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine
PubChem CID116808345
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(C2CCNC2)n1
InChIInChI=1S/C9H16N4O/c1-3-13(2)9-11-8(14-12-9)7-4-5-10-6-7/h7,10H,3-6H2,1-2H3
InChIKeyYOJUUBXDIHULLM-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-methyl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 116808318
5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808240
5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 114239831
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 102894836
5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride
CID 146049926
3-(2-methylpropyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 130747832
3-(1-ethylpyrrol-2-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 121199865
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 28526049
3-(1-methylsulfonylethyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 116632674
3-(butan-2-ylsulfanylmethyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65137538
3-(4,4-dimethylcyclohexyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65390962

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine (CID 116808345) is N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine is CCN(C)c1noc(C2CCNC2)n1.
What is the InChIKey of N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine?
The InChIKey is YOJUUBXDIHULLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-13(2)9-11-8(14-12-9)7-4-5-10-6-7/h7,10H,3-6H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine?
N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine has a molecular weight of 196.25 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116808345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).