3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

C18H18N4O3 — CID 71930493

IUPAC3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc3C2)C(=O)N1Cc1nc(C2CC2)no1
InChIInChI=1S/C18H18N4O3/c23-16-18(8-7-11-3-1-2-4-13(11)9-18)20-17(24)22(16)10-14-19-15(21-25-14)12-5-6-12/h1-4,12H,5-10H2,(H,20,24)
InChIKeyKKRBAOIIEQHZQG-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.93
Rot. Bonds3

About 3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 71930493) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
PubChem CID71930493
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc3C2)C(=O)N1Cc1nc(C2CC2)no1
InChIInChI=1S/C18H18N4O3/c23-16-18(8-7-11-3-1-2-4-13(11)9-18)20-17(24)22(16)10-14-19-15(21-25-14)12-5-6-12/h1-4,12H,5-10H2,(H,20,24)
InChIKeyKKRBAOIIEQHZQG-UHFFFAOYSA-N
XLogP1.93
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 71930493) is 3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCc3ccccc3C2)C(=O)N1Cc1nc(C2CC2)no1.
What is the InChIKey of 3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is KKRBAOIIEQHZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-16-18(8-7-11-3-1-2-4-13(11)9-18)20-17(24)22(16)10-14-19-15(21-25-14)12-5-6-12/h1-4,12H,5-10H2,(H,20,24).
What are the key properties of 3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 338.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 71930493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).