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

C24H17N5O5 — CID 39061235

IUPAC3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C24H17N5O5/c30-22-24(17-9-3-1-4-10-17,18-11-5-2-6-12-18)26-23(31)28(22)15-20-25-21(27-34-20)16-8-7-13-19(14-16)29(32)33/h1-14H,15H2,(H,26,31)
InChIKeyLPZVFXXVRDANFD-UHFFFAOYSA-N
MW455.43 g/mol
LogP3.64
Rot. Bonds6

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

3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 39061235) has the molecular formula C24H17N5O5 and a molecular weight of 455.43 g/mol. Its IUPAC name is 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID39061235
Molecular FormulaC24H17N5O5
Molecular Weight455.43 g/mol
Exact Mass455.12
IUPAC Name3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C24H17N5O5/c30-22-24(17-9-3-1-4-10-17,18-11-5-2-6-12-18)26-23(31)28(22)15-20-25-21(27-34-20)16-8-7-13-19(14-16)29(32)33/h1-14H,15H2,(H,26,31)
InChIKeyLPZVFXXVRDANFD-UHFFFAOYSA-N
XLogP3.64
TPSA131.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-methyl-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-nitrophenyl)imidazolidine-2,4-dione
CID 43075689
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 55604328
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-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 55512217
3-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione
CID 43075788
1-benzyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 112828506
N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 91635012
5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 55327621
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332
5-(1,4-diazepan-1-ylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole;hydrochloride
CID 119906393
3-(3-nitrophenyl)-5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55626475
5-butyl-5-phenyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 24670860

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione (CID 39061235) is 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1.
What is the InChIKey of 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is LPZVFXXVRDANFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O5/c30-22-24(17-9-3-1-4-10-17,18-11-5-2-6-12-18)26-23(31)28(22)15-20-25-21(27-34-20)16-8-7-13-19(14-16)29(32)33/h1-14H,15H2,(H,26,31).
What are the key properties of 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 455.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 39061235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).