N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine

C20H28N4O — CID 135092750

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine
SMILESCN(Cc1noc(C2CCCC2)n1)CC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H28N4O/c1-23(15-19-21-20(25-22-19)17-7-5-6-8-17)13-16-11-12-24(14-16)18-9-3-2-4-10-18/h2-4,9-10,16-17H,5-8,11-15H2,1H3
InChIKeyVTKRKGWHCHRUNQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.69
Rot. Bonds6

About N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine (PubChem CID 135092750) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine
PubChem CID135092750
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine
SMILESCN(Cc1noc(C2CCCC2)n1)CC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H28N4O/c1-23(15-19-21-20(25-22-19)17-7-5-6-8-17)13-16-11-12-24(14-16)18-9-3-2-4-10-18/h2-4,9-10,16-17H,5-8,11-15H2,1H3
InChIKeyVTKRKGWHCHRUNQ-UHFFFAOYSA-N
XLogP3.69
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135114283
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 135115058
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 99943025
N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 99929262
N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 131906546
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 75438087
2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid
CID 134701940
N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 124756986
2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50956884
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine
CID 91828772
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 97318188

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine (CID 135092750) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine is CN(Cc1noc(C2CCCC2)n1)CC1CCN(c2ccccc2)C1.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine?
The InChIKey is VTKRKGWHCHRUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-23(15-19-21-20(25-22-19)17-7-5-6-8-17)13-16-11-12-24(14-16)18-9-3-2-4-10-18/h2-4,9-10,16-17H,5-8,11-15H2,1H3.
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine has a molecular weight of 340.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-phenylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 135092750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).