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

C19H22N4O4 — CID 95584177

IUPAC(4S)-3'-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCC(C)CCc1noc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)n1
InChIInChI=1S/C19H22N4O4/c1-12(2)7-8-15-20-16(27-22-15)11-23-17(24)19(21-18(23)25)9-10-26-14-6-4-3-5-13(14)19/h3-6,12H,7-11H2,1-2H3,(H,21,25)/t19-/m0/s1
InChIKeyJOUOMIQEAJGZED-IBGZPJMESA-N
MW370.41 g/mol
LogP2.39
Rot. Bonds5

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

(4S)-3'-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 95584177) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is (4S)-3'-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4S)-3'-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID95584177
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name(4S)-3'-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCC(C)CCc1noc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)n1
InChIInChI=1S/C19H22N4O4/c1-12(2)7-8-15-20-16(27-22-15)11-23-17(24)19(21-18(23)25)9-10-26-14-6-4-3-5-13(14)19/h3-6,12H,7-11H2,1-2H3,(H,21,25)/t19-/m0/s1
InChIKeyJOUOMIQEAJGZED-IBGZPJMESA-N
XLogP2.39
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 36509633
(4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 95582137
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
(4R)-3'-[(3-methyl-1,2-oxazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9291202
(4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 41131523
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2442723
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(5-methylhexan-2-yl)acetamide
CID 17435318
(4R)-3'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442704
(4S)-3'-[(2-chlorophenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2516578
(4S)-3'-[(5-chlorothiadiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9450202
3'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 18147205
2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40791325

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4S)-3'-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 95584177) is (4S)-3'-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4S)-3'-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4S)-3'-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is CC(C)CCc1noc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)n1.
What is the InChIKey of (4S)-3'-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is JOUOMIQEAJGZED-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12(2)7-8-15-20-16(27-22-15)11-23-17(24)19(21-18(23)25)9-10-26-14-6-4-3-5-13(14)19/h3-6,12H,7-11H2,1-2H3,(H,21,25)/t19-/m0/s1.
What are the key properties of (4S)-3'-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
(4S)-3'-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 370.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 95584177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).