5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione

C22H18N4O3 — CID 154837911

IUPAC5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(-c3noc(-c4ccc5c(c4)CCC=C5)n3)cc2)NC(=O)NC1=O
InChIInChI=1S/C22H18N4O3/c1-22(20(27)24-21(28)25-22)17-10-8-14(9-11-17)18-23-19(29-26-18)16-7-6-13-4-2-3-5-15(13)12-16/h2,4,6-12H,3,5H2,1H3,(H2,24,25,27,28)
InChIKeyGMZSNAZIVHNGAK-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.42
Rot. Bonds3

About 5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione

5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 154837911) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID154837911
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(-c3noc(-c4ccc5c(c4)CCC=C5)n3)cc2)NC(=O)NC1=O
InChIInChI=1S/C22H18N4O3/c1-22(20(27)24-21(28)25-22)17-10-8-14(9-11-17)18-23-19(29-26-18)16-7-6-13-4-2-3-5-15(13)12-16/h2,4,6-12H,3,5H2,1H3,(H2,24,25,27,28)
InChIKeyGMZSNAZIVHNGAK-UHFFFAOYSA-N
XLogP3.42
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
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 5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (CID 154837911) is 5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(-c3noc(-c4ccc5c(c4)CCC=C5)n3)cc2)NC(=O)NC1=O.
What is the InChIKey of 5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is GMZSNAZIVHNGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-22(20(27)24-21(28)25-22)17-10-8-14(9-11-17)18-23-19(29-26-18)16-7-6-13-4-2-3-5-15(13)12-16/h2,4,6-12H,3,5H2,1H3,(H2,24,25,27,28).
What are the key properties of 5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 386.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(7,8-dihydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 154837911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).