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

C12H18FN3O4 — CID 129088786

IUPAC1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
SMILESCOCC1C(O)N(c2cc(C(C)(C)F)on2)C(=O)N1C
InChIInChI=1S/C12H18FN3O4/c1-12(2,13)8-5-9(14-20-8)16-10(17)7(6-19-4)15(3)11(16)18/h5,7,10,17H,6H2,1-4H3
InChIKeyVMDZTRQLLAOZRA-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.08
Rot. Bonds4

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

1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one (PubChem CID 129088786) has the molecular formula C12H18FN3O4 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
PubChem CID129088786
Molecular FormulaC12H18FN3O4
Molecular Weight287.29 g/mol
Exact Mass287.13
IUPAC Name1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one
SMILESCOCC1C(O)N(c2cc(C(C)(C)F)on2)C(=O)N1C
InChIInChI=1S/C12H18FN3O4/c1-12(2,13)8-5-9(14-20-8)16-10(17)7(6-19-4)15(3)11(16)18/h5,7,10,17H,6H2,1-4H3
InChIKeyVMDZTRQLLAOZRA-UHFFFAOYSA-N
XLogP1.08
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.08
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-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one (CID 129088786) is 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one is COCC1C(O)N(c2cc(C(C)(C)F)on2)C(=O)N1C.
What is the InChIKey of 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
The InChIKey is VMDZTRQLLAOZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O4/c1-12(2,13)8-5-9(14-20-8)16-10(17)7(6-19-4)15(3)11(16)18/h5,7,10,17H,6H2,1-4H3.
What are the key properties of 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one?
1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-4-(methoxymethyl)-3-methylimidazolidin-2-one has a molecular weight of 287.29 g/mol, XLogP of 1.08, 4 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-4-(methoxymethyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 129088786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).