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

C21H22N4O2 — CID 125165131

IUPAC(4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
SMILESCN(Cc1cc(-c2ccccn2)no1)C[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c1-24(15-18-12-20(23-27-18)19-9-5-6-10-22-19)13-16-11-21(26)25(14-16)17-7-3-2-4-8-17/h2-10,12,16H,11,13-15H2,1H3/t16-/m1/s1
InChIKeyFRKVZXWLQFLXBB-MRXNPFEDSA-N
MW362.43 g/mol
LogP3.22
Rot. Bonds6

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

(4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one (PubChem CID 125165131) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
PubChem CID125165131
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
SMILESCN(Cc1cc(-c2ccccn2)no1)C[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c1-24(15-18-12-20(23-27-18)19-9-5-6-10-22-19)13-16-11-21(26)25(14-16)17-7-3-2-4-8-17/h2-10,12,16H,11,13-15H2,1H3/t16-/m1/s1
InChIKeyFRKVZXWLQFLXBB-MRXNPFEDSA-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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one (CID 125165131) is (4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one is CN(Cc1cc(-c2ccccn2)no1)C[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is FRKVZXWLQFLXBB-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24(15-18-12-20(23-27-18)19-9-5-6-10-22-19)13-16-11-21(26)25(14-16)17-7-3-2-4-8-17/h2-10,12,16H,11,13-15H2,1H3/t16-/m1/s1.
What are the key properties of (4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one?
(4R)-4-[[methyl-[(3-pyridin-2-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 (4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 125165131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).