(5S)-5-(3-bromophenyl)-5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione

C19H16BrN3O3S — CID 42064145

About (5S)-5-(3-bromophenyl)-5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione

(5S)-5-(3-bromophenyl)-5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 42064145) has the molecular formula C19H16BrN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is (5S)-5-(3-bromophenyl)-5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-(3-bromophenyl)-5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 42064145
• Molecular Formula: C19H16BrN3O3S
• Molecular Weight: 446.33 g/mol
• Exact Mass: 445.01
• IUPAC Name: (5S)-5-(3-bromophenyl)-5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
• SMILES: Cc1oc(-c2cccs2)nc1CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O
• InChI: InChI=1S/C19H16BrN3O3S/c1-11-14(21-16(26-11)15-7-4-8-27-15)10-23-17(24)19(2,22-18(23)25)12-5-3-6-13(20)9-12/h3-9H,10H2,1-2H3,(H,22,25)/t19-/m0/s1
• InChIKey: JQZZZFAKEBINIG-IBGZPJMESA-N
• XLogP: 4.44
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.33
LogP ≤ 5	4.44
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 (5S)-5-(3-bromophenyl)-5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-(3-bromophenyl)-5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione (CID 42064145) is (5S)-5-(3-bromophenyl)-5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione.

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

The canonical SMILES for (5S)-5-(3-bromophenyl)-5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione is Cc1oc(-c2cccs2)nc1CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O.

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

The InChIKey is JQZZZFAKEBINIG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H16BrN3O3S/c1-11-14(21-16(26-11)15-7-4-8-27-15)10-23-17(24)19(2,22-18(23)25)12-5-3-6-13(20)9-12/h3-9H,10H2,1-2H3,(H,22,25)/t19-/m0/s1.

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

(5S)-5-(3-bromophenyl)-5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 446.33 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(3-bromophenyl)-5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 42064145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).