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

C19H17F3N4O2 — CID 139008749

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCc1cc2n(n1)C(C(F)(F)F)CCN2C(=O)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C19H17F3N4O2/c1-11-10-15-25(9-8-14(19(20,21)22)26(15)24-11)18(27)16-12(2)28-17(23-16)13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3
InChIKeyUZRKXEZJAQFOHM-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.31
Rot. Bonds2

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

(5-methyl-2-phenyl-1,3-oxazol-4-yl)-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (PubChem CID 139008749) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
PubChem CID139008749
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
SMILESCc1cc2n(n1)C(C(F)(F)F)CCN2C(=O)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C19H17F3N4O2/c1-11-10-15-25(9-8-14(19(20,21)22)26(15)24-11)18(27)16-12(2)28-17(23-16)13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3
InChIKeyUZRKXEZJAQFOHM-UHFFFAOYSA-N
XLogP4.31
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methyl-2-phenyl-1,3-oxazol-4-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

(2S)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
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CID 55478344
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 27659602
(3-methyl-1,2-oxazol-5-yl)-[(7S)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 1256617
(2R,3R)-2-methyl-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122114886
6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174861
1-[1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622500
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9112756
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 94487085
(3R)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxamide
CID 95980090
3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258640
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 95590099

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone (CID 139008749) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is Cc1cc2n(n1)C(C(F)(F)F)CCN2C(=O)c1nc(-c2ccccc2)oc1C.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
The InChIKey is UZRKXEZJAQFOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-11-10-15-25(9-8-14(19(20,21)22)26(15)24-11)18(27)16-12(2)28-17(23-16)13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone has a molecular weight of 390.37 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone is sourced from PubChem (CID 139008749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).