6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H19F3N4O3 — CID 155884062

IUPAC6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1coc(C2=C(C)NC3C(c4ccccc4)C(C(F)(F)F)NN3C2=O)n1
InChIInChI=1S/C19H19F3N4O3/c1-10-13(17-24-12(8-28-2)9-29-17)18(27)26-16(23-10)14(11-6-4-3-5-7-11)15(25-26)19(20,21)22/h3-7,9,14-16,23,25H,8H2,1-2H3
InChIKeyGLXOCMNUTQAUEZ-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.54
Rot. Bonds4

About 6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 155884062) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID155884062
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1coc(C2=C(C)NC3C(c4ccccc4)C(C(F)(F)F)NN3C2=O)n1
InChIInChI=1S/C19H19F3N4O3/c1-10-13(17-24-12(8-28-2)9-29-17)18(27)26-16(23-10)14(11-6-4-3-5-7-11)15(25-26)19(20,21)22/h3-7,9,14-16,23,25H,8H2,1-2H3
InChIKeyGLXOCMNUTQAUEZ-UHFFFAOYSA-N
XLogP2.54
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 155884062) is 6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCc1coc(C2=C(C)NC3C(c4ccccc4)C(C(F)(F)F)NN3C2=O)n1.
What is the InChIKey of 6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GLXOCMNUTQAUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-10-13(17-24-12(8-28-2)9-29-17)18(27)26-16(23-10)14(11-6-4-3-5-7-11)15(25-26)19(20,21)22/h3-7,9,14-16,23,25H,8H2,1-2H3.
What are the key properties of 6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 408.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methoxymethyl)-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155884062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).