3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one

C9H9F3N2O2 — CID 59284168

IUPAC3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(C(F)(F)F)nc2n(c1=O)C(C)CO2
InChIInChI=1S/C9H9F3N2O2/c1-4-3-16-8-13-6(9(10,11)12)5(2)7(15)14(4)8/h4H,3H2,1-2H3
InChIKeyMKBOGEHLYGJQON-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.52
Rot. Bonds

About 3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one

3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one (PubChem CID 59284168) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one
PubChem CID59284168
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one
SMILESCc1c(C(F)(F)F)nc2n(c1=O)C(C)CO2
InChIInChI=1S/C9H9F3N2O2/c1-4-3-16-8-13-6(9(10,11)12)5(2)7(15)14(4)8/h4H,3H2,1-2H3
InChIKeyMKBOGEHLYGJQON-UHFFFAOYSA-N
XLogP1.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one (CID 59284168) is 3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one is Cc1c(C(F)(F)F)nc2n(c1=O)C(C)CO2.
What is the InChIKey of 3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MKBOGEHLYGJQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-4-3-16-8-13-6(9(10,11)12)5(2)7(15)14(4)8/h4H,3H2,1-2H3.
What are the key properties of 3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one?
3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one has a molecular weight of 234.18 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 59284168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).