5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione

C22H17N5O4 — CID 154838574

IUPAC5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
SMILESCC1(c2cccc(-c3noc(Cc4cc5ccccc5[nH]c4=O)n3)c2)NC(=O)NC1=O
InChIInChI=1S/C22H17N5O4/c1-22(20(29)25-21(30)26-22)15-7-4-6-13(10-15)18-24-17(31-27-18)11-14-9-12-5-2-3-8-16(12)23-19(14)28/h2-10H,11H2,1H3,(H,23,28)(H2,25,26,29,30)
InChIKeyHRBBZHFILLOOTR-UHFFFAOYSA-N
MW415.41 g/mol
LogP2.22
Rot. Bonds4

About 5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione

5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 154838574) has the molecular formula C22H17N5O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is 5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
PubChem CID154838574
Molecular FormulaC22H17N5O4
Molecular Weight415.41 g/mol
Exact Mass415.13
IUPAC Name5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
SMILESCC1(c2cccc(-c3noc(Cc4cc5ccccc5[nH]c4=O)n3)c2)NC(=O)NC1=O
InChIInChI=1S/C22H17N5O4/c1-22(20(29)25-21(30)26-22)15-7-4-6-13(10-15)18-24-17(31-27-18)11-14-9-12-5-2-3-8-16(12)23-19(14)28/h2-10H,11H2,1H3,(H,23,28)(H2,25,26,29,30)
InChIKeyHRBBZHFILLOOTR-UHFFFAOYSA-N
XLogP2.22
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-({3-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}amino)benzamide
CID 1944711
N-(3-acetylphenyl)-2-{4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}acetamide
CID 49664431
2-[4-(3-Methyl-1,2,4-oxadiazol-5-YL)-2-oxo-1,2-dihydroquinolin-1-YL]-N-phenylacetamide
CID 53143782
2-[4-(3-Methyl-1,2,4-oxadiazol-5-YL)-2-oxo-1,2-dihydroquinolin-1-YL]-N-(2-methylphenyl)acetamide
CID 53143783
N-Benzyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-YL)-2-oxo-1,2-dihydroquinolin-1-YL]acetamide
CID 53143840
N-(2,4-dimethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3850705
4-[3-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 2034992
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 55700566
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide
CID 55722531
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 56015097
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 56168487
3-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2-methyl-N-phenylbenzamide
CID 56244322

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione (CID 154838574) is 5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione is CC1(c2cccc(-c3noc(Cc4cc5ccccc5[nH]c4=O)n3)c2)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione?
The InChIKey is HRBBZHFILLOOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O4/c1-22(20(29)25-21(30)26-22)15-7-4-6-13(10-15)18-24-17(31-27-18)11-14-9-12-5-2-3-8-16(12)23-19(14)28/h2-10H,11H2,1H3,(H,23,28)(H2,25,26,29,30).
What are the key properties of 5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione?
5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione has a molecular weight of 415.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 154838574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).