(3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one

C16H25N5O2 — CID 98847852

IUPAC(3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CC[C@@H](N2CC[C@@H](N(C)Cc3noc(C4CC4)n3)C2)C1=O
InChIInChI=1S/C16H25N5O2/c1-19-7-6-13(16(19)22)21-8-5-12(9-21)20(2)10-14-17-15(23-18-14)11-3-4-11/h11-13H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyQFXWUFJWRYLDLK-CHWSQXEVSA-N
MW319.41 g/mol
LogP0.68
Rot. Bonds5

About (3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one

(3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 98847852) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one
PubChem CID98847852
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one
SMILESCN1CC[C@@H](N2CC[C@@H](N(C)Cc3noc(C4CC4)n3)C2)C1=O
InChIInChI=1S/C16H25N5O2/c1-19-7-6-13(16(19)22)21-8-5-12(9-21)20(2)10-14-17-15(23-18-14)11-3-4-11/h11-13H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyQFXWUFJWRYLDLK-CHWSQXEVSA-N
XLogP0.68
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one
CID 97217430
(3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one
CID 97217411
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide
CID 100858433
N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 95780172
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 97318188
N-cyclopropyl-2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]propanamide
CID 71928488
(2S)-N-cyclopropyl-2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]propanamide
CID 100870289
4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile
CID 75373779
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 75373783
(3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
CID 97061477
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylazepan-4-amine
CID 104979533
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 97217433

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one (CID 98847852) is (3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one is CN1CC[C@@H](N2CC[C@@H](N(C)Cc3noc(C4CC4)n3)C2)C1=O.
What is the InChIKey of (3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is QFXWUFJWRYLDLK-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-19-7-6-13(16(19)22)21-8-5-12(9-21)20(2)10-14-17-15(23-18-14)11-3-4-11/h11-13H,3-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one?
(3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 98847852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).