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

C16H13N3O4 — CID 75479091

IUPAC5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(c2cc3ccccc3o2)NC(=O)N(Cc2ccno2)C1=O
InChIInChI=1S/C16H13N3O4/c1-16(13-8-10-4-2-3-5-12(10)22-13)14(20)19(15(21)18-16)9-11-6-7-17-23-11/h2-8H,9H2,1H3,(H,18,21)
InChIKeyVAWWVNAWMRVODD-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.39
Rot. Bonds3

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

5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione (PubChem CID 75479091) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione
PubChem CID75479091
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(c2cc3ccccc3o2)NC(=O)N(Cc2ccno2)C1=O
InChIInChI=1S/C16H13N3O4/c1-16(13-8-10-4-2-3-5-12(10)22-13)14(20)19(15(21)18-16)9-11-6-7-17-23-11/h2-8H,9H2,1H3,(H,18,21)
InChIKeyVAWWVNAWMRVODD-UHFFFAOYSA-N
XLogP2.39
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione with MolForge

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Related Compounds

5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 17410607
(5R)-5-(1-benzofuran-2-yl)-3-[(5-bromo-2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 95630729
(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)-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
5-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 55442400
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
(5S)-5-(1-benzofuran-2-yl)-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione
CID 52533141
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
5-(1-benzofuran-2-yl)-5-methyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione
CID 55860422
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 17397156

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione (CID 75479091) is 5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione is CC1(c2cc3ccccc3o2)NC(=O)N(Cc2ccno2)C1=O.
What is the InChIKey of 5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is VAWWVNAWMRVODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-16(13-8-10-4-2-3-5-12(10)22-13)14(20)19(15(21)18-16)9-11-6-7-17-23-11/h2-8H,9H2,1H3,(H,18,21).
What are the key properties of 5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione?
5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 311.30 g/mol, XLogP of 2.39, 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-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 75479091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).