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

C22H25F3N4O3 — CID 155884103

IUPAC6-[4-(methoxymethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1nc(C2=C(C)NC3C(c4ccccc4)C(C(F)(F)F)NN3C2=O)oc1C(C)C
InChIInChI=1S/C22H25F3N4O3/c1-11(2)17-14(10-31-4)27-20(32-17)15-12(3)26-19-16(13-8-6-5-7-9-13)18(22(23,24)25)28-29(19)21(15)30/h5-9,11,16,18-19,26,28H,10H2,1-4H3
InChIKeyCGKWOYDBDGDYID-UHFFFAOYSA-N
MW450.46 g/mol
LogP3.67
Rot. Bonds5

About 6-[4-(methoxymethyl)-5-propan-2-yl-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)-5-propan-2-yl-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 155884103) has the molecular formula C22H25F3N4O3 and a molecular weight of 450.46 g/mol. Its IUPAC name is 6-[4-(methoxymethyl)-5-propan-2-yl-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)-5-propan-2-yl-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 CID155884103
Molecular FormulaC22H25F3N4O3
Molecular Weight450.46 g/mol
Exact Mass450.19
IUPAC Name6-[4-(methoxymethyl)-5-propan-2-yl-1,3-oxazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1nc(C2=C(C)NC3C(c4ccccc4)C(C(F)(F)F)NN3C2=O)oc1C(C)C
InChIInChI=1S/C22H25F3N4O3/c1-11(2)17-14(10-31-4)27-20(32-17)15-12(3)26-19-16(13-8-6-5-7-9-13)18(22(23,24)25)28-29(19)21(15)30/h5-9,11,16,18-19,26,28H,10H2,1-4H3
InChIKeyCGKWOYDBDGDYID-UHFFFAOYSA-N
XLogP3.67
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(methoxymethyl)-5-propan-2-yl-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)-5-propan-2-yl-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 155884103) is 6-[4-(methoxymethyl)-5-propan-2-yl-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)-5-propan-2-yl-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)-5-propan-2-yl-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 COCc1nc(C2=C(C)NC3C(c4ccccc4)C(C(F)(F)F)NN3C2=O)oc1C(C)C.
What is the InChIKey of 6-[4-(methoxymethyl)-5-propan-2-yl-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 CGKWOYDBDGDYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O3/c1-11(2)17-14(10-31-4)27-20(32-17)15-12(3)26-19-16(13-8-6-5-7-9-13)18(22(23,24)25)28-29(19)21(15)30/h5-9,11,16,18-19,26,28H,10H2,1-4H3.
What are the key properties of 6-[4-(methoxymethyl)-5-propan-2-yl-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)-5-propan-2-yl-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 450.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methoxymethyl)-5-propan-2-yl-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 155884103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).