1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione

C19H20N4O5 — CID 135117926

About 1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione

1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione (PubChem CID 135117926) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
• PubChem CID: 135117926
• Molecular Formula: C19H20N4O5
• Molecular Weight: 384.39 g/mol
• Exact Mass: 384.14
• IUPAC Name: 1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
• SMILES: Cc1cc(C[C@@H]2CN(C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C[C@H]2O)on1
• InChI: InChI=1S/C19H20N4O5/c1-11-6-15(28-21-11)7-13-8-22(9-16(13)24)18(26)12-2-4-14(5-3-12)23-10-17(25)20-19(23)27/h2-6,13,16,24H,7-10H2,1H3,(H,20,25,27)/t13-,16-/m1/s1
• InChIKey: POEHPRWRMXORQG-CZUORRHYSA-N
• XLogP: 0.71
• TPSA: 115.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.39
LogP ≤ 5	0.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?

The IUPAC name of 1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione (CID 135117926) is 1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for 1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?

The canonical SMILES for 1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione is Cc1cc(C[C@@H]2CN(C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C[C@H]2O)on1.

What is the InChIKey of 1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?

The InChIKey is POEHPRWRMXORQG-CZUORRHYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-11-6-15(28-21-11)7-13-8-22(9-16(13)24)18(26)12-2-4-14(5-3-12)23-10-17(25)20-19(23)27/h2-6,13,16,24H,7-10H2,1H3,(H,20,25,27)/t13-,16-/m1/s1.

What are the key properties of 1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?

1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 384.39 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 135117926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).