5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine

C12H20N4O — CID 102894836

IUPAC5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(C2NCC3CCCC32)n1
InChIInChI=1S/C12H20N4O/c1-3-16(2)12-14-11(17-15-12)10-9-6-4-5-8(9)7-13-10/h8-10,13H,3-7H2,1-2H3
InChIKeyUJAFVJPKUFMURS-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.59
Rot. Bonds3

About 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine

5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine (PubChem CID 102894836) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
PubChem CID102894836
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(C2NCC3CCCC32)n1
InChIInChI=1S/C12H20N4O/c1-3-16(2)12-14-11(17-15-12)10-9-6-4-5-8(9)7-13-10/h8-10,13H,3-7H2,1-2H3
InChIKeyUJAFVJPKUFMURS-UHFFFAOYSA-N
XLogP1.59
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 102894678
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 102894580
N-ethyl-N-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-amine
CID 116808345
5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 114239831
5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808240
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-cyclooctyl-1,2,4-oxadiazole
CID 102894768
N-ethyl-N-methyl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 116808318
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-benzyl-1,2,4-oxadiazole
CID 102894468
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazole
CID 102894790
2-[5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]-4-ethylmorpholine
CID 102894735
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole
CID 102894798
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 102894474

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 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) is 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine is CCN(C)c1noc(C2NCC3CCCC32)n1.
What is the InChIKey of 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The InChIKey is UJAFVJPKUFMURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-16(2)12-14-11(17-15-12)10-9-6-4-5-8(9)7-13-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine has a molecular weight of 236.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 102894836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).