(5R)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione

C13H12ClN3O3S — CID 95325192

About (5R)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione

(5R)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 95325192) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is (5R)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 95325192
• Molecular Formula: C13H12ClN3O3S
• Molecular Weight: 325.78 g/mol
• Exact Mass: 325.03
• IUPAC Name: (5R)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
• SMILES: Cc1cc(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)no1
• InChI: InChI=1S/C13H12ClN3O3S/c1-7-5-8(16-20-7)6-17-11(18)13(2,15-12(17)19)9-3-4-10(14)21-9/h3-5H,6H2,1-2H3,(H,15,19)/t13-/m0/s1
• InChIKey: OAGNFHJKDOVXPU-ZDUSSCGKSA-N
• XLogP: 2.67
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.78
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (5R)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione (CID 95325192) is (5R)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione is Cc1cc(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)no1.

What is the InChIKey of (5R)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is OAGNFHJKDOVXPU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c1-7-5-8(16-20-7)6-17-11(18)13(2,15-12(17)19)9-3-4-10(14)21-9/h3-5H,6H2,1-2H3,(H,15,19)/t13-/m0/s1.

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

(5R)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 325.78 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95325192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).