1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine

C9H16N4O — CID 62067124

IUPAC1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCCc1nc(CN2CCC(N)C2)no1
InChIInChI=1S/C9H16N4O/c1-2-9-11-8(12-14-9)6-13-4-3-7(10)5-13/h7H,2-6,10H2,1H3
InChIKeySNSGAUCKDXPUGZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.17
Rot. Bonds3

About 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 62067124) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID62067124
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCCc1nc(CN2CCC(N)C2)no1
InChIInChI=1S/C9H16N4O/c1-2-9-11-8(12-14-9)6-13-4-3-7(10)5-13/h7H,2-6,10H2,1H3
InChIKeySNSGAUCKDXPUGZ-UHFFFAOYSA-N
XLogP0.17
TPSA68.18 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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine
CID 54592609
1-(1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl)piperazine
CID 54592607
5-(Propan-2-yl)-3-(pyrrolidin-2-yl)-1,2,4-oxadiazole
CID 62388483
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 86775555
5-Methyl-3-(pyrrolidin-2-yl)-1,2,4-oxadiazole
CID 62388481
1-(5-Methyl-1,2,4-oxadiazol-3-yl)ethan-1-amine hydrochloride
CID 68733692
3-Ethyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 45833742
2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide
CID 71872449
N-[1-(3-methoxypropyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 71872466
2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 71872472
N-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 71872694
N-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 71872703

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (CID 62067124) is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is CCc1nc(CN2CCC(N)C2)no1.
What is the InChIKey of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is SNSGAUCKDXPUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-9-11-8(12-14-9)6-13-4-3-7(10)5-13/h7H,2-6,10H2,1H3.
What are the key properties of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 196.25 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 62067124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).