[4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone

C22H23F3N4O3 — CID 19486004

IUPAC[4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCc1ccc(OCc2c(C(=O)N3CCC(C(F)(F)F)n4nc(C)cc43)noc2C)c(C)c1
InChIInChI=1S/C22H23F3N4O3/c1-12-5-6-17(13(2)9-12)31-11-16-15(4)32-27-20(16)21(30)28-8-7-18(22(23,24)25)29-19(28)10-14(3)26-29/h5-6,9-10,18H,7-8,11H2,1-4H3
InChIKeyLUIAHMPUMSYDRG-UHFFFAOYSA-N
MW448.45 g/mol
LogP4.84
Rot. Bonds4

About [4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone

[4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (PubChem CID 19486004) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is [4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
PubChem CID19486004
Molecular FormulaC22H23F3N4O3
Molecular Weight448.45 g/mol
Exact Mass448.17
IUPAC Name[4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCc1ccc(OCc2c(C(=O)N3CCC(C(F)(F)F)n4nc(C)cc43)noc2C)c(C)c1
InChIInChI=1S/C22H23F3N4O3/c1-12-5-6-17(13(2)9-12)31-11-16-15(4)32-27-20(16)21(30)28-8-7-18(22(23,24)25)29-19(28)10-14(3)26-29/h5-6,9-10,18H,7-8,11H2,1-4H3
InChIKeyLUIAHMPUMSYDRG-UHFFFAOYSA-N
XLogP4.84
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone with MolForge

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Related Compounds

[4-[(3-chlorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 19444187
[4-[(2,4-dimethylphenoxy)methyl]thiophen-2-yl]-[7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 19483736
4-[(2,4-dimethylphenoxy)methyl]-N-(2,5-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19484238
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484141
4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19484187
(3-methyl-1,2-oxazol-5-yl)-[(7S)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 1256617
N-(2,5-difluorophenyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484171
4-[(2,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19484285
N-[4-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]phenyl]prop-2-enamide
CID 166405820
[4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19445381
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484323
4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide
CID 19444856

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The IUPAC name of [4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (CID 19486004) is [4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.
What is the SMILES notation for [4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The canonical SMILES for [4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is Cc1ccc(OCc2c(C(=O)N3CCC(C(F)(F)F)n4nc(C)cc43)noc2C)c(C)c1.
What is the InChIKey of [4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The InChIKey is LUIAHMPUMSYDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c1-12-5-6-17(13(2)9-12)31-11-16-15(4)32-27-20(16)21(30)28-8-7-18(22(23,24)25)29-19(28)10-14(3)26-29/h5-6,9-10,18H,7-8,11H2,1-4H3.
What are the key properties of [4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
[4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone has a molecular weight of 448.45 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is sourced from PubChem (CID 19486004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).