[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C12H15N3O5 — CID 18091731

IUPAC[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OC(C)C(=O)N1CCNC1=O
InChIInChI=1S/C12H15N3O5/c1-6-9(7(2)20-14-6)11(17)19-8(3)10(16)15-5-4-13-12(15)18/h8H,4-5H2,1-3H3,(H,13,18)
InChIKeyRBJQYRDISPASRU-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.39
Rot. Bonds3

About [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 18091731) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID18091731
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OC(C)C(=O)N1CCNC1=O
InChIInChI=1S/C12H15N3O5/c1-6-9(7(2)20-14-6)11(17)19-8(3)10(16)15-5-4-13-12(15)18/h8H,4-5H2,1-3H3,(H,13,18)
InChIKeyRBJQYRDISPASRU-UHFFFAOYSA-N
XLogP0.39
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 18091731) is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OC(C)C(=O)N1CCNC1=O.
What is the InChIKey of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is RBJQYRDISPASRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-6-9(7(2)20-14-6)11(17)19-8(3)10(16)15-5-4-13-12(15)18/h8H,4-5H2,1-3H3,(H,13,18).
What are the key properties of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 281.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 18091731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).