5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

C20H15F2N5O6 — CID 55604328

IUPAC5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1=O
InChIInChI=1S/C20H15F2N5O6/c1-20(12-5-7-14(8-6-12)32-18(21)22)17(28)26(19(29)24-20)10-15-23-16(25-33-15)11-3-2-4-13(9-11)27(30)31/h2-9,18H,10H2,1H3,(H,24,29)
InChIKeySOCASXVLRGKCFT-UHFFFAOYSA-N
MW459.37 g/mol
LogP3.21
Rot. Bonds7

About 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione (PubChem CID 55604328) has the molecular formula C20H15F2N5O6 and a molecular weight of 459.37 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
PubChem CID55604328
Molecular FormulaC20H15F2N5O6
Molecular Weight459.37 g/mol
Exact Mass459.10
IUPAC Name5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1=O
InChIInChI=1S/C20H15F2N5O6/c1-20(12-5-7-14(8-6-12)32-18(21)22)17(28)26(19(29)24-20)10-15-23-16(25-33-15)11-3-2-4-13(9-11)27(30)31/h2-9,18H,10H2,1H3,(H,24,29)
InChIKeySOCASXVLRGKCFT-UHFFFAOYSA-N
XLogP3.21
TPSA140.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione
CID 43075788
5-methyl-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-nitrophenyl)imidazolidine-2,4-dione
CID 43075689
3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 39061235
5-methyl-5-(3-nitrophenyl)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 43075754
3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 55376162
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332
3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 24521701
3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46608792
5-(3,4-difluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18100275
5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094335
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 46528612
5-[4-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 42964381

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione (CID 55604328) is 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione is CC1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1=O.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is SOCASXVLRGKCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O6/c1-20(12-5-7-14(8-6-12)32-18(21)22)17(28)26(19(29)24-20)10-15-23-16(25-33-15)11-3-2-4-13(9-11)27(30)31/h2-9,18H,10H2,1H3,(H,24,29).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 459.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55604328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).