methyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate

C16H19N3O6 — CID 70612127

IUPACmethyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(N2C(=O)C(=O)N(C3CCCCC3)C2=O)c1C(=O)OC
InChIInChI=1S/C16H19N3O6/c1-3-10-11(15(22)24-2)14(25-17-10)19-13(21)12(20)18(16(19)23)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3
InChIKeyFRUPPDIBVOCYII-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.65
Rot. Bonds4

About methyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate

methyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate (PubChem CID 70612127) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is methyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate
PubChem CID70612127
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Namemethyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(N2C(=O)C(=O)N(C3CCCCC3)C2=O)c1C(=O)OC
InChIInChI=1S/C16H19N3O6/c1-3-10-11(15(22)24-2)14(25-17-10)19-13(21)12(20)18(16(19)23)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3
InChIKeyFRUPPDIBVOCYII-UHFFFAOYSA-N
XLogP1.65
TPSA110.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate (CID 70612127) is methyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate is CCc1noc(N2C(=O)C(=O)N(C3CCCCC3)C2=O)c1C(=O)OC.
What is the InChIKey of methyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate?
The InChIKey is FRUPPDIBVOCYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6/c1-3-10-11(15(22)24-2)14(25-17-10)19-13(21)12(20)18(16(19)23)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3.
What are the key properties of methyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate?
methyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate has a molecular weight of 349.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 70612127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).