(4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one

C19H19N5O2 — CID 128987599

IUPAC(4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](NCc2nnc(-c3ccccc3)o2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H19N5O2/c1-24-17(25)10-15(18(24)14-8-5-9-20-11-14)21-12-16-22-23-19(26-16)13-6-3-2-4-7-13/h2-9,11,15,18,21H,10,12H2,1H3/t15-,18+/m1/s1
InChIKeyHCHRUSDDNODYAI-QAPCUYQASA-N
MW349.39 g/mol
LogP2.19
Rot. Bonds5

About (4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one

(4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 128987599) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID128987599
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](NCc2nnc(-c3ccccc3)o2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H19N5O2/c1-24-17(25)10-15(18(24)14-8-5-9-20-11-14)21-12-16-22-23-19(26-16)13-6-3-2-4-7-13/h2-9,11,15,18,21H,10,12H2,1H3/t15-,18+/m1/s1
InChIKeyHCHRUSDDNODYAI-QAPCUYQASA-N
XLogP2.19
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one (CID 128987599) is (4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one is CN1C(=O)C[C@@H](NCc2nnc(-c3ccccc3)o2)[C@@H]1c1cccnc1.
What is the InChIKey of (4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is HCHRUSDDNODYAI-QAPCUYQASA-N. The full InChI is InChI=1S/C19H19N5O2/c1-24-17(25)10-15(18(24)14-8-5-9-20-11-14)21-12-16-22-23-19(26-16)13-6-3-2-4-7-13/h2-9,11,15,18,21H,10,12H2,1H3/t15-,18+/m1/s1.
What are the key properties of (4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one?
(4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 349.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 128987599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).