5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione

C21H18N4O4 — CID 154838582

IUPAC5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cccc(-c3noc(C4OCCc5ccccc54)n3)c2)NC(=O)NC1=O
InChIInChI=1S/C21H18N4O4/c1-21(19(26)23-20(27)24-21)14-7-4-6-13(11-14)17-22-18(29-25-17)16-15-8-3-2-5-12(15)9-10-28-16/h2-8,11,16H,9-10H2,1H3,(H2,23,24,26,27)
InChIKeyUCVORITXIAQUSN-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.45
Rot. Bonds3

About 5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione

5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 154838582) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID154838582
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cccc(-c3noc(C4OCCc5ccccc54)n3)c2)NC(=O)NC1=O
InChIInChI=1S/C21H18N4O4/c1-21(19(26)23-20(27)24-21)14-7-4-6-13(11-14)17-22-18(29-25-17)16-15-8-3-2-5-12(15)9-10-28-16/h2-8,11,16H,9-10H2,1H3,(H2,23,24,26,27)
InChIKeyUCVORITXIAQUSN-UHFFFAOYSA-N
XLogP2.45
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
5-[3-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 167828481
5-[3-[5-(1-methoxycyclohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 139002479
5-methyl-5-[3-[5-(3-methyl-4-oxophthalazin-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
CID 154861681
5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 166213750
5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 166213656
5-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 154838576
5-methyl-5-[3-[5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
CID 154838563
5-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 126791199
(5S)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 7131300
(5R)-5-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 125137803
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 138044244

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (CID 154838582) is 5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is CC1(c2cccc(-c3noc(C4OCCc5ccccc54)n3)c2)NC(=O)NC1=O.
What is the InChIKey of 5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is UCVORITXIAQUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-21(19(26)23-20(27)24-21)14-7-4-6-13(11-14)17-22-18(29-25-17)16-15-8-3-2-5-12(15)9-10-28-16/h2-8,11,16H,9-10H2,1H3,(H2,23,24,26,27).
What are the key properties of 5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 390.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 154838582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).