1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine

C11H20N4O — CID 156603714

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine
SMILESCc1noc(CN2CC(N)C(C(C)C)C2)n1
InChIInChI=1S/C11H20N4O/c1-7(2)9-4-15(5-10(9)12)6-11-13-8(3)14-16-11/h7,9-10H,4-6,12H2,1-3H3
InChIKeyKNTARTQFZOLQKE-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.79
Rot. Bonds3

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

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine (PubChem CID 156603714) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine
PubChem CID156603714
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine
SMILESCc1noc(CN2CC(N)C(C(C)C)C2)n1
InChIInChI=1S/C11H20N4O/c1-7(2)9-4-15(5-10(9)12)6-11-13-8(3)14-16-11/h7,9-10H,4-6,12H2,1-3H3
InChIKeyKNTARTQFZOLQKE-UHFFFAOYSA-N
XLogP0.79
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide
CID 133128421
4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 130847204
[(3R,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759213
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 126853112
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 43414257
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 124803938
(3S,4S)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72869683
5-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-3-methyl-1,2,4-oxadiazole
CID 126856950
3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 163350275
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103576788
5-(3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepin-2-ylmethyl)-3-methyl-1,2,4-oxadiazole
CID 79925675
(2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
CID 111488176

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine (CID 156603714) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine is Cc1noc(CN2CC(N)C(C(C)C)C2)n1.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine?
The InChIKey is KNTARTQFZOLQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)9-4-15(5-10(9)12)6-11-13-8(3)14-16-11/h7,9-10H,4-6,12H2,1-3H3.
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine?
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine has a molecular weight of 224.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 156603714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).