5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione

C21H15FN6O3 — CID 166213656

IUPAC5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cccc(-c3noc(-c4ccn(-c5ccc(F)cc5)n4)n3)c2)NC(=O)NC1=O
InChIInChI=1S/C21H15FN6O3/c1-21(19(29)24-20(30)25-21)13-4-2-3-12(11-13)17-23-18(31-27-17)16-9-10-28(26-16)15-7-5-14(22)6-8-15/h2-11H,1H3,(H2,24,25,29,30)
InChIKeyGWGHFTVYEZPNGP-UHFFFAOYSA-N
MW418.39 g/mol
LogP2.78
Rot. Bonds4

About 5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione

5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 166213656) has the molecular formula C21H15FN6O3 and a molecular weight of 418.39 g/mol. Its IUPAC name is 5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID166213656
Molecular FormulaC21H15FN6O3
Molecular Weight418.39 g/mol
Exact Mass418.12
IUPAC Name5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2cccc(-c3noc(-c4ccn(-c5ccc(F)cc5)n4)n3)c2)NC(=O)NC1=O
InChIInChI=1S/C21H15FN6O3/c1-21(19(29)24-20(30)25-21)13-4-2-3-12(11-13)17-23-18(31-27-17)16-9-10-28(26-16)15-7-5-14(22)6-8-15/h2-11H,1H3,(H2,24,25,29,30)
InChIKeyGWGHFTVYEZPNGP-UHFFFAOYSA-N
XLogP2.78
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 154838576
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-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
CID 154838574
1-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854338
5-[3-[5-[3-(4-methoxyphenyl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 166213750
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyridazin-4-one
CID 50840730
5-[3-[5-(3,4-dihydro-1H-isochromen-1-yl)-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
CID 154838582
(5S)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 7131300
6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one
CID 83274107
3-[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyridazin-4-one
CID 53135329

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (CID 166213656) is 5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is CC1(c2cccc(-c3noc(-c4ccn(-c5ccc(F)cc5)n4)n3)c2)NC(=O)NC1=O.
What is the InChIKey of 5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is GWGHFTVYEZPNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6O3/c1-21(19(29)24-20(30)25-21)13-4-2-3-12(11-13)17-23-18(31-27-17)16-9-10-28(26-16)15-7-5-14(22)6-8-15/h2-11H,1H3,(H2,24,25,29,30).
What are the key properties of 5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?
5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 418.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-[1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 166213656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).