2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide

C20H23N3O4 — CID 138523614

IUPAC2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCc1cc(CN2C[C@H](C(=O)C(=O)NC(C)C)[C@@H](c3ccccc3)C2=O)no1
InChIInChI=1S/C20H23N3O4/c1-12(2)21-19(25)18(24)16-11-23(10-15-9-13(3)27-22-15)20(26)17(16)14-7-5-4-6-8-14/h4-9,12,16-17H,10-11H2,1-3H3,(H,21,25)/t16-,17+/m0/s1
InChIKeyRHGHJKZVBOMDDK-DLBZAZTESA-N
MW369.42 g/mol
LogP1.82
Rot. Bonds6

About 2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide

2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 138523614) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide
PubChem CID138523614
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCc1cc(CN2C[C@H](C(=O)C(=O)NC(C)C)[C@@H](c3ccccc3)C2=O)no1
InChIInChI=1S/C20H23N3O4/c1-12(2)21-19(25)18(24)16-11-23(10-15-9-13(3)27-22-15)20(26)17(16)14-7-5-4-6-8-14/h4-9,12,16-17H,10-11H2,1-3H3,(H,21,25)/t16-,17+/m0/s1
InChIKeyRHGHJKZVBOMDDK-DLBZAZTESA-N
XLogP1.82
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[2-(cyclopropylamino)-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxoethyl] acetate
CID 138523545
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 125014450
2-(5-methyl-1,2-oxazol-3-yl)-N-[(1R,2S)-2-phenylcyclohexyl]acetamide
CID 95964657
N-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 86908237
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide
CID 71925676
2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)ethanone
CID 110634595
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoquinoline-4-carboxylic acid
CID 62039037
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione
CID 64967995
5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 110098343
N-[(2R)-1-hydroxypropan-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64722552
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 33106364

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide (CID 138523614) is 2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide is Cc1cc(CN2C[C@H](C(=O)C(=O)NC(C)C)[C@@H](c3ccccc3)C2=O)no1.
What is the InChIKey of 2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is RHGHJKZVBOMDDK-DLBZAZTESA-N. The full InChI is InChI=1S/C20H23N3O4/c1-12(2)21-19(25)18(24)16-11-23(10-15-9-13(3)27-22-15)20(26)17(16)14-7-5-4-6-8-14/h4-9,12,16-17H,10-11H2,1-3H3,(H,21,25)/t16-,17+/m0/s1.
What are the key properties of 2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide?
2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 369.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-4-phenylpyrrolidin-3-yl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 138523614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).