4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one

C11H14F3N3O3 — CID 121324759

IUPAC4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(C)(C)C(F)(F)F)on2)C1=O
InChIInChI=1S/C11H14F3N3O3/c1-10(2,11(12,13)14)6-4-7(15-20-6)17-8(18)5-16(3)9(17)19/h4,8,18H,5H2,1-3H3
InChIKeyJKVSQSQZEVCHTM-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.70
Rot. Bonds2

About 4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one

4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one (PubChem CID 121324759) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
PubChem CID121324759
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(C)(C)C(F)(F)F)on2)C1=O
InChIInChI=1S/C11H14F3N3O3/c1-10(2,11(12,13)14)6-4-7(15-20-6)17-8(18)5-16(3)9(17)19/h4,8,18H,5H2,1-3H3
InChIKeyJKVSQSQZEVCHTM-UHFFFAOYSA-N
XLogP1.70
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one (CID 121324759) is 4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one is CN1CC(O)N(c2cc(C(C)(C)C(F)(F)F)on2)C1=O.
What is the InChIKey of 4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one?
The InChIKey is JKVSQSQZEVCHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-10(2,11(12,13)14)6-4-7(15-20-6)17-8(18)5-16(3)9(17)19/h4,8,18H,5H2,1-3H3.
What are the key properties of 4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one?
4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one has a molecular weight of 293.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 121324759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).