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

C21H22N4O2 — CID 118772164

IUPAC4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
SMILESCN(Cc1cc(-c2ccncc2)no1)CC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c1-24(15-19-12-20(23-27-19)17-7-9-22-10-8-17)13-16-11-21(26)25(14-16)18-5-3-2-4-6-18/h2-10,12,16H,11,13-15H2,1H3
InChIKeySBFHRPKUACGKPW-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.22
Rot. Bonds6

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

4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one (PubChem CID 118772164) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
PubChem CID118772164
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
SMILESCN(Cc1cc(-c2ccncc2)no1)CC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c1-24(15-19-12-20(23-27-19)17-7-9-22-10-8-17)13-16-11-21(26)25(14-16)18-5-3-2-4-6-18/h2-10,12,16H,11,13-15H2,1H3
InChIKeySBFHRPKUACGKPW-UHFFFAOYSA-N
XLogP3.22
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 125165131
(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-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 118779674
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine
CID 99613583
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 171908814
(4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one
CID 125159658
N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686446
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 34323364
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
(3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 97269100
N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 134712685
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 124756945

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one (CID 118772164) is 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one is CN(Cc1cc(-c2ccncc2)no1)CC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is SBFHRPKUACGKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24(15-19-12-20(23-27-19)17-7-9-22-10-8-17)13-16-11-21(26)25(14-16)18-5-3-2-4-6-18/h2-10,12,16H,11,13-15H2,1H3.
What are the key properties of 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one has a molecular weight of 362.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 118772164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).