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

C17H19N5O5 — CID 47037844

IUPAC3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione
SMILESCC(C)(C)c1nc(CN2C(=O)NC(C)(c3cccc([N+](=O)[O-])c3)C2=O)no1
InChIInChI=1S/C17H19N5O5/c1-16(2,3)13-18-12(20-27-13)9-21-14(23)17(4,19-15(21)24)10-6-5-7-11(8-10)22(25)26/h5-8H,9H2,1-4H3,(H,19,24)
InChIKeyUZGMLEYZPHFROH-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.24
Rot. Bonds4

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

3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 47037844) has the molecular formula C17H19N5O5 and a molecular weight of 373.37 g/mol. Its IUPAC name is 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione
PubChem CID47037844
Molecular FormulaC17H19N5O5
Molecular Weight373.37 g/mol
Exact Mass373.14
IUPAC Name3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione
SMILESCC(C)(C)c1nc(CN2C(=O)NC(C)(c3cccc([N+](=O)[O-])c3)C2=O)no1
InChIInChI=1S/C17H19N5O5/c1-16(2,3)13-18-12(20-27-13)9-21-14(23)17(4,19-15(21)24)10-6-5-7-11(8-10)22(25)26/h5-8H,9H2,1-4H3,(H,19,24)
InChIKeyUZGMLEYZPHFROH-UHFFFAOYSA-N
XLogP2.24
TPSA131.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.24
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

(5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 94026664
5-methyl-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-nitrophenyl)imidazolidine-2,4-dione
CID 43075689
(5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 95589595
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-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione
CID 43075788
(5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 2710989
N,N-dimethyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075598
5-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-5-(3-nitrophenyl)imidazolidine-2,4-dione
CID 43075626
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 46528612
(5S)-5-(3-bromophenyl)-5-methyl-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione
CID 51931904
5-methyl-5-(3-nitrophenyl)-3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]imidazolidine-2,4-dione
CID 86992192
N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 43075515

Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione (CID 47037844) is 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione is CC(C)(C)c1nc(CN2C(=O)NC(C)(c3cccc([N+](=O)[O-])c3)C2=O)no1.
What is the InChIKey of 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is UZGMLEYZPHFROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O5/c1-16(2,3)13-18-12(20-27-13)9-21-14(23)17(4,19-15(21)24)10-6-5-7-11(8-10)22(25)26/h5-8H,9H2,1-4H3,(H,19,24).
What are the key properties of 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione?
3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 373.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 47037844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).