(3S)-3'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C19H15N3O4 — CID 9318987

About (3S)-3'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

(3S)-3'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 9318987) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is (3S)-3'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: (3S)-3'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
• PubChem CID: 9318987
• Molecular Formula: C19H15N3O4
• Molecular Weight: 349.35 g/mol
• Exact Mass: 349.11
• IUPAC Name: (3S)-3'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
• SMILES: O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1cc(-c2ccco2)on1
• InChI: InChI=1S/C19H15N3O4/c23-17-19(8-7-12-4-1-2-5-14(12)19)20-18(24)22(17)11-13-10-16(26-21-13)15-6-3-9-25-15/h1-6,9-10H,7-8,11H2,(H,20,24)/t19-/m0/s1
• InChIKey: SVJPZULEOYQOKR-IBGZPJMESA-N
• XLogP: 2.83
• TPSA: 88.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.35
LogP ≤ 5	2.83
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 (3S)-3'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?

The IUPAC name of (3S)-3'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 9318987) is (3S)-3'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

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

The canonical SMILES for (3S)-3'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1cc(-c2ccco2)on1.

What is the InChIKey of (3S)-3'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?

The InChIKey is SVJPZULEOYQOKR-IBGZPJMESA-N. The full InChI is InChI=1S/C19H15N3O4/c23-17-19(8-7-12-4-1-2-5-14(12)19)20-18(24)22(17)11-13-10-16(26-21-13)15-6-3-9-25-15/h1-6,9-10H,7-8,11H2,(H,20,24)/t19-/m0/s1.

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

(3S)-3'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 349.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 9318987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).