1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one

C11H16FN3O4 — CID 121320785

IUPAC1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one
SMILESCON1C(=O)N(c2cc(C(C)(C)F)on2)C(O)C1C
InChIInChI=1S/C11H16FN3O4/c1-6-9(16)14(10(17)15(6)18-4)8-5-7(19-13-8)11(2,3)12/h5-6,9,16H,1-4H3
InChIKeyOPCNNUWNRCZMMP-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.39
Rot. Bonds3

About 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one

1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one (PubChem CID 121320785) has the molecular formula C11H16FN3O4 and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one
PubChem CID121320785
Molecular FormulaC11H16FN3O4
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one
SMILESCON1C(=O)N(c2cc(C(C)(C)F)on2)C(O)C1C
InChIInChI=1S/C11H16FN3O4/c1-6-9(16)14(10(17)15(6)18-4)8-5-7(19-13-8)11(2,3)12/h5-6,9,16H,1-4H3
InChIKeyOPCNNUWNRCZMMP-UHFFFAOYSA-N
XLogP1.39
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one?
The IUPAC name of 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one (CID 121320785) is 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one.
What is the SMILES notation for 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one?
The canonical SMILES for 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one is CON1C(=O)N(c2cc(C(C)(C)F)on2)C(O)C1C.
What is the InChIKey of 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one?
The InChIKey is OPCNNUWNRCZMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O4/c1-6-9(16)14(10(17)15(6)18-4)8-5-7(19-13-8)11(2,3)12/h5-6,9,16H,1-4H3.
What are the key properties of 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one?
1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one has a molecular weight of 273.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3-methoxy-4-methylimidazolidin-2-one is sourced from PubChem (CID 121320785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).