4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one

C20H21N5O2 — CID 118779674

IUPAC4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
SMILESCN(Cc1nc(-c2cccnc2)no1)CC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H21N5O2/c1-24(14-18-22-20(23-27-18)16-6-5-9-21-11-16)12-15-10-19(26)25(13-15)17-7-3-2-4-8-17/h2-9,11,15H,10,12-14H2,1H3
InChIKeyPMGXDBMEVWLWAE-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.62
Rot. Bonds6

About 4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one

4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one (PubChem CID 118779674) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
PubChem CID118779674
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
SMILESCN(Cc1nc(-c2cccnc2)no1)CC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H21N5O2/c1-24(14-18-22-20(23-27-18)16-6-5-9-21-11-16)12-15-10-19(26)25(13-15)17-7-3-2-4-8-17/h2-9,11,15H,10,12-14H2,1H3
InChIKeyPMGXDBMEVWLWAE-UHFFFAOYSA-N
XLogP2.62
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one with MolForge

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Related Compounds

(4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 125173745
4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 118772164
N-methyl-1-(1-phenylpyrazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56888809
(4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 125165131
4-amino-1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
CID 168700333
N-methyl-1-phenyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 71977773
1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 30852488
1-[3-(1-benzofuran-2-yl)pyrazolidin-4-yl]-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 74610554
4-ethynyl-1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
CID 168501864
4-(chloromethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 168508058
5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 17400583
(4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one
CID 125159658

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one (CID 118779674) is 4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one is CN(Cc1nc(-c2cccnc2)no1)CC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is PMGXDBMEVWLWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24(14-18-22-20(23-27-18)16-6-5-9-21-11-16)12-15-10-19(26)25(13-15)17-7-3-2-4-8-17/h2-9,11,15H,10,12-14H2,1H3.
What are the key properties of 4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 118779674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).