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

C20H21N5O2 — CID 125173745

IUPAC(4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
SMILESCN(Cc1nc(-c2ccncc2)no1)C[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H21N5O2/c1-24(14-18-22-20(23-27-18)16-7-9-21-10-8-16)12-15-11-19(26)25(13-15)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3/t15-/m0/s1
InChIKeyBUKFLTGEVZQQDF-HNNXBMFYSA-N
MW363.42 g/mol
LogP2.62
Rot. Bonds6

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

(4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one (PubChem CID 125173745) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
PubChem CID125173745
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
SMILESCN(Cc1nc(-c2ccncc2)no1)C[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H21N5O2/c1-24(14-18-22-20(23-27-18)16-7-9-21-10-8-16)12-15-11-19(26)25(13-15)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3/t15-/m0/s1
InChIKeyBUKFLTGEVZQQDF-HNNXBMFYSA-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

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Related Compounds

4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 118779674
4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 118772164
(4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 125165131
N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 154895780
1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 30852488
tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 174704864
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 91835903
1-(4-ethylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 16956006
(4R)-1-(4-ethylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41455288
(4R)-4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-phenylpyrrolidin-2-one
CID 125159658
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
1-(4-methoxyphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 16955954

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one (CID 125173745) is (4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one is CN(Cc1nc(-c2ccncc2)no1)C[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is BUKFLTGEVZQQDF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24(14-18-22-20(23-27-18)16-7-9-21-10-8-16)12-15-11-19(26)25(13-15)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3/t15-/m0/s1.
What are the key properties of (4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
(4S)-4-[[methyl-[(3-pyridin-4-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 (4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 125173745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).