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

C10H14FN3O3 — CID 121324672

IUPAC3-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(C)(C)F)on2)C1=O
InChIInChI=1S/C10H14FN3O3/c1-10(2,11)6-4-7(12-17-6)14-8(15)5-13(3)9(14)16/h4,8,15H,5H2,1-3H3
InChIKeyCDEITAPMPJNESA-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.07
Rot. Bonds2

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

3-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one (PubChem CID 121324672) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is 3-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name3-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one
PubChem CID121324672
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Name3-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(C)(C)F)on2)C1=O
InChIInChI=1S/C10H14FN3O3/c1-10(2,11)6-4-7(12-17-6)14-8(15)5-13(3)9(14)16/h4,8,15H,5H2,1-3H3
InChIKeyCDEITAPMPJNESA-UHFFFAOYSA-N
XLogP1.07
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one?
The IUPAC name of 3-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one (CID 121324672) is 3-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one.
What is the SMILES notation for 3-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one?
The canonical SMILES for 3-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one is CN1CC(O)N(c2cc(C(C)(C)F)on2)C1=O.
What is the InChIKey of 3-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one?
The InChIKey is CDEITAPMPJNESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-10(2,11)6-4-7(12-17-6)14-8(15)5-13(3)9(14)16/h4,8,15H,5H2,1-3H3.
What are the key properties of 3-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one?
3-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one has a molecular weight of 243.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-4-hydroxy-1-methylimidazolidin-2-one is sourced from PubChem (CID 121324672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).