5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione

C22H19FN4O5 — CID 46511245

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(-c2noc(CN3C(=O)NC(C)(c4ccc5c(c4)OCCO5)C3=O)n2)cc1F
InChIInChI=1S/C22H19FN4O5/c1-12-3-4-13(9-15(12)23)19-24-18(32-26-19)11-27-20(28)22(2,25-21(27)29)14-5-6-16-17(10-14)31-8-7-30-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,25,29)
InChIKeyFHALPOZFJMXNIH-UHFFFAOYSA-N
MW438.42 g/mol
LogP2.92
Rot. Bonds4

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 46511245) has the molecular formula C22H19FN4O5 and a molecular weight of 438.42 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID46511245
Molecular FormulaC22H19FN4O5
Molecular Weight438.42 g/mol
Exact Mass438.13
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(-c2noc(CN3C(=O)NC(C)(c4ccc5c(c4)OCCO5)C3=O)n2)cc1F
InChIInChI=1S/C22H19FN4O5/c1-12-3-4-13(9-15(12)23)19-24-18(32-26-19)11-27-20(28)22(2,25-21(27)29)14-5-6-16-17(10-14)31-8-7-30-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,25,29)
InChIKeyFHALPOZFJMXNIH-UHFFFAOYSA-N
XLogP2.92
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione with MolForge

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Related Compounds

5-(3,4-difluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18100275
3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 55512217
(5R)-5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 36526371
5-(3,4-difluorophenyl)-5-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 55528869
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 95301085
5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094335
(5S)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7595168
5-methyl-5-(4-methylphenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 17445557
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7359271
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2564712
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094699
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46484776

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 46511245) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione is Cc1ccc(-c2noc(CN3C(=O)NC(C)(c4ccc5c(c4)OCCO5)C3=O)n2)cc1F.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is FHALPOZFJMXNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O5/c1-12-3-4-13(9-15(12)23)19-24-18(32-26-19)11-27-20(28)22(2,25-21(27)29)14-5-6-16-17(10-14)31-8-7-30-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,25,29).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 438.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 46511245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).