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

C11H16FN3O3 — CID 121320784

IUPAC1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one
SMILESCC1C(O)N(c2cc(C(C)(C)F)on2)C(=O)N1C
InChIInChI=1S/C11H16FN3O3/c1-6-9(16)15(10(17)14(6)4)8-5-7(18-13-8)11(2,3)12/h5-6,9,16H,1-4H3
InChIKeyCRPWGAVNPGRKAR-UHFFFAOYSA-N
MW257.26 g/mol
LogP1.46
Rot. Bonds2

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

1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one (PubChem CID 121320784) has the molecular formula C11H16FN3O3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one
PubChem CID121320784
Molecular FormulaC11H16FN3O3
Molecular Weight257.26 g/mol
Exact Mass257.12
IUPAC Name1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one
SMILESCC1C(O)N(c2cc(C(C)(C)F)on2)C(=O)N1C
InChIInChI=1S/C11H16FN3O3/c1-6-9(16)15(10(17)14(6)4)8-5-7(18-13-8)11(2,3)12/h5-6,9,16H,1-4H3
InChIKeyCRPWGAVNPGRKAR-UHFFFAOYSA-N
XLogP1.46
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-3,4-dimethylimidazolidin-2-one?
The IUPAC name of 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one (CID 121320784) is 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one.
What is the SMILES notation for 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one?
The canonical SMILES for 1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one is CC1C(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-3,4-dimethylimidazolidin-2-one?
The InChIKey is CRPWGAVNPGRKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3/c1-6-9(16)15(10(17)14(6)4)8-5-7(18-13-8)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-3,4-dimethylimidazolidin-2-one?
1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one has a molecular weight of 257.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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-3,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 121320784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).