3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C18H14N4O5 — CID 17498401

IUPAC3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCOc3ccccc32)C(=O)N1Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C18H14N4O5/c23-16-18(7-9-26-12-5-2-1-4-11(12)18)19-17(24)22(16)10-14-20-21-15(27-14)13-6-3-8-25-13/h1-6,8H,7,9-10H2,(H,19,24)
InChIKeyCPSHXHYWEQDBJX-UHFFFAOYSA-N
MW366.33 g/mol
LogP2.06
Rot. Bonds3

About 3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 17498401) has the molecular formula C18H14N4O5 and a molecular weight of 366.33 g/mol. Its IUPAC name is 3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID17498401
Molecular FormulaC18H14N4O5
Molecular Weight366.33 g/mol
Exact Mass366.10
IUPAC Name3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCOc3ccccc32)C(=O)N1Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C18H14N4O5/c23-16-18(7-9-26-12-5-2-1-4-11(12)18)19-17(24)22(16)10-14-20-21-15(27-14)13-6-3-8-25-13/h1-6,8H,7,9-10H2,(H,19,24)
InChIKeyCPSHXHYWEQDBJX-UHFFFAOYSA-N
XLogP2.06
TPSA110.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 17498401) is 3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCOc3ccccc32)C(=O)N1Cc1nnc(-c2ccco2)o1.
What is the InChIKey of 3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is CPSHXHYWEQDBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O5/c23-16-18(7-9-26-12-5-2-1-4-11(12)18)19-17(24)22(16)10-14-20-21-15(27-14)13-6-3-8-25-13/h1-6,8H,7,9-10H2,(H,19,24).
What are the key properties of 3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 366.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 17498401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).