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

C19H15N3O6 — CID 16602061

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESO=C(OCc1cc(-c2ccco2)on1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C19H15N3O6/c23-17-9-20-19(25)22(17)10-12-3-5-13(6-4-12)18(24)27-11-14-8-16(28-21-14)15-2-1-7-26-15/h1-8H,9-11H2,(H,20,25)
InChIKeyBWFVHGNFBIGXFJ-UHFFFAOYSA-N
MW381.34 g/mol
LogP2.34
Rot. Bonds6

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

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (PubChem CID 16602061) has the molecular formula C19H15N3O6 and a molecular weight of 381.34 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
PubChem CID16602061
Molecular FormulaC19H15N3O6
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
SMILESO=C(OCc1cc(-c2ccco2)on1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C19H15N3O6/c23-17-9-20-19(25)22(17)10-12-3-5-13(6-4-12)18(24)27-11-14-8-16(28-21-14)15-2-1-7-26-15/h1-8H,9-11H2,(H,20,25)
InChIKeyBWFVHGNFBIGXFJ-UHFFFAOYSA-N
XLogP2.34
TPSA114.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 52.34
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 4-benzoylbenzoate
CID 8808452
benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 17454076
(5-chlorothiophen-2-yl)methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 71900069
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate
CID 8749200
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 41470422
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8631148
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16564672
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 16611794
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 43214757
[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-[(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

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (CID 16602061) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is O=C(OCc1cc(-c2ccco2)on1)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
The InChIKey is BWFVHGNFBIGXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O6/c23-17-9-20-19(25)22(17)10-12-3-5-13(6-4-12)18(24)27-11-14-8-16(28-21-14)15-2-1-7-26-15/h1-8H,9-11H2,(H,20,25).
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate has a molecular weight of 381.34 g/mol, XLogP of 2.34, 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 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 16602061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).