[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate

C18H22N4O6 — CID 7617393

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
SMILESCCCC1(CCC)NC(=O)N(CC(=O)OCc2nnc(-c3ccco3)o2)C1=O
InChIInChI=1S/C18H22N4O6/c1-3-7-18(8-4-2)16(24)22(17(25)19-18)10-14(23)27-11-13-20-21-15(28-13)12-6-5-9-26-12/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,19,25)
InChIKeyRBYWKDQFQTYJHJ-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.26
Rot. Bonds9

About [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate (PubChem CID 7617393) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
PubChem CID7617393
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
SMILESCCCC1(CCC)NC(=O)N(CC(=O)OCc2nnc(-c3ccco3)o2)C1=O
InChIInChI=1S/C18H22N4O6/c1-3-7-18(8-4-2)16(24)22(17(25)19-18)10-14(23)27-11-13-20-21-15(28-13)12-6-5-9-26-12/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,19,25)
InChIKeyRBYWKDQFQTYJHJ-UHFFFAOYSA-N
XLogP2.26
TPSA127.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617485
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-fluorophenyl)propanoate
CID 8552674
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821532
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate
CID 7958020
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9362957
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate
CID 9272371
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate
CID 7980221
N'-[2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetyl]furan-2-carbohydrazide
CID 9476496
phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8765116
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454493
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methylphenoxy)propanoate
CID 9139477
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-butoxybenzoyl)amino]acetate
CID 7885551

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate (CID 7617393) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate is CCCC1(CCC)NC(=O)N(CC(=O)OCc2nnc(-c3ccco3)o2)C1=O.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The InChIKey is RBYWKDQFQTYJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6/c1-3-7-18(8-4-2)16(24)22(17(25)19-18)10-14(23)27-11-13-20-21-15(28-13)12-6-5-9-26-12/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,19,25).
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate has a molecular weight of 390.40 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate is sourced from PubChem (CID 7617393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).