5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione

C17H15N3O4 — CID 17410607

IUPAC5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)NC(C)(c3cc4ccccc4o3)C2=O)no1
InChIInChI=1S/C17H15N3O4/c1-10-7-12(19-24-10)9-20-15(21)17(2,18-16(20)22)14-8-11-5-3-4-6-13(11)23-14/h3-8H,9H2,1-2H3,(H,18,22)
InChIKeyJEYKSHUVEBFZSK-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.70
Rot. Bonds3

About 5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione

5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 17410607) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID17410607
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)NC(C)(c3cc4ccccc4o3)C2=O)no1
InChIInChI=1S/C17H15N3O4/c1-10-7-12(19-24-10)9-20-15(21)17(2,18-16(20)22)14-8-11-5-3-4-6-13(11)23-14/h3-8H,9H2,1-2H3,(H,18,22)
InChIKeyJEYKSHUVEBFZSK-UHFFFAOYSA-N
XLogP2.70
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 31383653
5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione
CID 75479091
5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
CID 55435865
(5S)-5-(1-benzofuran-2-yl)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41209221
5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyridin-4-ylimidazolidine-2,4-dione
CID 110226506
(5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 94870299
(5R)-5-(1-benzofuran-2-yl)-3-[(5-bromo-2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 95630729
(5R)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-(1-benzofuran-2-yl)-5-methylimidazolidine-2,4-dione
CID 30735083
(5S)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-(1-benzofuran-2-yl)-5-methylimidazolidine-2,4-dione
CID 30735078
(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione
CID 40767489
(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
CID 40854425
(5S)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 9292738

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione (CID 17410607) is 5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione is Cc1cc(CN2C(=O)NC(C)(c3cc4ccccc4o3)C2=O)no1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is JEYKSHUVEBFZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-10-7-12(19-24-10)9-20-15(21)17(2,18-16(20)22)14-8-11-5-3-4-6-13(11)23-14/h3-8H,9H2,1-2H3,(H,18,22).
What are the key properties of 5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione?
5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 325.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 17410607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).