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

C14H15N3O3S — CID 30295078

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

5,5-dimethyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 30295078) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5,5-dimethyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 30295078
• Molecular Formula: C14H15N3O3S
• Molecular Weight: 305.36 g/mol
• Exact Mass: 305.08
• IUPAC Name: 5,5-dimethyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
• SMILES: Cc1oc(-c2cccs2)nc1CN1C(=O)NC(C)(C)C1=O
• InChI: InChI=1S/C14H15N3O3S/c1-8-9(15-11(20-8)10-5-4-6-21-10)7-17-12(18)14(2,3)16-13(17)19/h4-6H,7H2,1-3H3,(H,16,19)
• InChIKey: JDPKRAQGNPFXLQ-UHFFFAOYSA-N
• XLogP: 2.54
• 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	305.36
LogP ≤ 5	2.54
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 5,5-dimethyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 5,5-dimethyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione (CID 30295078) is 5,5-dimethyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione.

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

The canonical SMILES for 5,5-dimethyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione is Cc1oc(-c2cccs2)nc1CN1C(=O)NC(C)(C)C1=O.

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

The InChIKey is JDPKRAQGNPFXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-9(15-11(20-8)10-5-4-6-21-10)7-17-12(18)14(2,3)16-13(17)19/h4-6H,7H2,1-3H3,(H,16,19).

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

5,5-dimethyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 305.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 30295078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).