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

C21H18N4O3 — CID 8023134

IUPAC(4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C21H18N4O3/c26-19-21(12-6-10-14-7-4-5-11-16(14)21)23-20(27)25(19)13-17-22-18(24-28-17)15-8-2-1-3-9-15/h1-5,7-9,11H,6,10,12-13H2,(H,23,27)/t21-/m1/s1
InChIKeyJSAPISCYXRUPSW-OAQYLSRUSA-N
MW374.40 g/mol
LogP3.02
Rot. Bonds3

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

(4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 8023134) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is (4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID8023134
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name(4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C21H18N4O3/c26-19-21(12-6-10-14-7-4-5-11-16(14)21)23-20(27)25(19)13-17-22-18(24-28-17)15-8-2-1-3-9-15/h1-5,7-9,11H,6,10,12-13H2,(H,23,27)/t21-/m1/s1
InChIKeyJSAPISCYXRUPSW-OAQYLSRUSA-N
XLogP3.02
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3'-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 46606195
3'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 18147205
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
3'-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 166228870
3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 78879020
(4R)-3'-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 40953388
(3R)-3'-[(5-phenyl-1,2-oxazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 41187001
(4S)-3'-[(5-methyl-1,2-oxazol-3-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 8940626
(4S)-3'-[(2-fluorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705970
(4S)-3'-[(4-chlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240509
(4S)-3'-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 41143646
3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 16610620

Frequently Asked Questions

What is the IUPAC name of (4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 8023134) is (4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1nc(-c2ccccc2)no1.
What is the InChIKey of (4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is JSAPISCYXRUPSW-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-19-21(12-6-10-14-7-4-5-11-16(14)21)23-20(27)25(19)13-17-22-18(24-28-17)15-8-2-1-3-9-15/h1-5,7-9,11H,6,10,12-13H2,(H,23,27)/t21-/m1/s1.
What are the key properties of (4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
(4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 374.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3'-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 8023134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).