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

C13H13N3O4 — CID 46642091

IUPAC5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)NC(C)(c3ccco3)C2=O)on1
InChIInChI=1S/C13H13N3O4/c1-8-6-9(20-15-8)7-16-11(17)13(2,14-12(16)18)10-4-3-5-19-10/h3-6H,7H2,1-2H3,(H,14,18)
InChIKeyPENFBCPNYCSODQ-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.54
Rot. Bonds3

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

5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 46642091) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID46642091
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)NC(C)(c3ccco3)C2=O)on1
InChIInChI=1S/C13H13N3O4/c1-8-6-9(20-15-8)7-16-11(17)13(2,14-12(16)18)10-4-3-5-19-10/h3-6H,7H2,1-2H3,(H,14,18)
InChIKeyPENFBCPNYCSODQ-UHFFFAOYSA-N
XLogP1.54
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17490213
5-(furan-2-yl)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 47013283
5-[[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 51951241
(5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 125419949
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94820088
3-(2-aminopropyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 18073152
3-[(5-chloropyrazin-2-yl)methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 103054477
2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 17395489
(5R)-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40767255
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51259022
(5R)-5-(furan-2-yl)-5-methyl-3-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]imidazolidine-2,4-dione
CID 94139825
5-(furan-2-yl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 46640128

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione (CID 46642091) is 5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione is Cc1cc(CN2C(=O)NC(C)(c3ccco3)C2=O)on1.
What is the InChIKey of 5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is PENFBCPNYCSODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-8-6-9(20-15-8)7-16-11(17)13(2,14-12(16)18)10-4-3-5-19-10/h3-6H,7H2,1-2H3,(H,14,18).
What are the key properties of 5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione?
5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 275.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46642091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).