[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate

C16H17N3O6 — CID 8631148

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCC1(C)NC(=O)N(CCC(=O)OCc2cc(-c3ccco3)on2)C1=O
InChIInChI=1S/C16H17N3O6/c1-16(2)14(21)19(15(22)17-16)6-5-13(20)24-9-10-8-12(25-18-10)11-4-3-7-23-11/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,22)
InChIKeyUUIHNOKLMREFMP-UHFFFAOYSA-N
MW347.33 g/mol
LogP1.70
Rot. Bonds6

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate (PubChem CID 8631148) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
PubChem CID8631148
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCC1(C)NC(=O)N(CCC(=O)OCc2cc(-c3ccco3)on2)C1=O
InChIInChI=1S/C16H17N3O6/c1-16(2)14(21)19(15(22)17-16)6-5-13(20)24-9-10-8-12(25-18-10)11-4-3-7-23-11/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,22)
InChIKeyUUIHNOKLMREFMP-UHFFFAOYSA-N
XLogP1.70
TPSA114.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786759
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 8577182
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 8577180
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8658014
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate
CID 40752868
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(3-bromophenoxy)propanoate
CID 8887141
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-methoxy-5-methylphenyl)acetate
CID 8543519
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 16602061
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8632879
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate
CID 8808452
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 9441594
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 9320014

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate (CID 8631148) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate is CC1(C)NC(=O)N(CCC(=O)OCc2cc(-c3ccco3)on2)C1=O.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The InChIKey is UUIHNOKLMREFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6/c1-16(2)14(21)19(15(22)17-16)6-5-13(20)24-9-10-8-12(25-18-10)11-4-3-7-23-11/h3-4,7-8H,5-6,9H2,1-2H3,(H,17,22).
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate has a molecular weight of 347.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 8631148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).