3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione

C12H12F3N3O3 — CID 138020952

IUPAC3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCC(C)n1cc(C(F)(F)F)c(=O)n(Cc2ccno2)c1=O
InChIInChI=1S/C12H12F3N3O3/c1-7(2)17-6-9(12(13,14)15)10(19)18(11(17)20)5-8-3-4-16-21-8/h3-4,6-7H,5H2,1-2H3
InChIKeyPXWMIFPVEYWKAU-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.65
Rot. Bonds3

About 3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione

3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 138020952) has the molecular formula C12H12F3N3O3 and a molecular weight of 303.24 g/mol. Its IUPAC name is 3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID138020952
Molecular FormulaC12H12F3N3O3
Molecular Weight303.24 g/mol
Exact Mass303.08
IUPAC Name3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCC(C)n1cc(C(F)(F)F)c(=O)n(Cc2ccno2)c1=O
InChIInChI=1S/C12H12F3N3O3/c1-7(2)17-6-9(12(13,14)15)10(19)18(11(17)20)5-8-3-4-16-21-8/h3-4,6-7H,5H2,1-2H3
InChIKeyPXWMIFPVEYWKAU-UHFFFAOYSA-N
XLogP1.65
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,2-Oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 103951484
2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 106416942
2-[1,2-Oxazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 106421099
5-Fluoro-6-hydroxy-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
CID 106422411
2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 114186229
2-fluoro-2-methyl-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 130166978
3,3-difluoro-2,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 132381599
6-Amino-1-(2-methylpropyl)-5-[2-methylpropyl(1,2-oxazol-5-ylmethyl)amino]pyrimidine-2,4-dione
CID 56786002
5-Methyl-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
CID 60734798
5-Bromo-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
CID 63779268
3-(1,2-Oxazol-5-ylmethyl)-1-propylpyrimidine-2,4-dione
CID 63810454
1-(1,2-Oxazol-5-ylmethyl)pyrimidine-2,4-dione
CID 63812530

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 138020952) is 3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione is CC(C)n1cc(C(F)(F)F)c(=O)n(Cc2ccno2)c1=O.
What is the InChIKey of 3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is PXWMIFPVEYWKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3/c1-7(2)17-6-9(12(13,14)15)10(19)18(11(17)20)5-8-3-4-16-21-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione?
3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 303.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-5-ylmethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 138020952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).