(3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone

C21H17F3N6O2 — CID 110233973

IUPAC(3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)no1)N1CCCC(c2cc(C(F)(F)F)n3ncnc3n2)C1
InChIInChI=1S/C21H17F3N6O2/c22-21(23,24)18-10-15(27-20-25-12-26-30(18)20)14-7-4-8-29(11-14)19(31)17-9-16(28-32-17)13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14H,4,7-8,11H2
InChIKeyVXLPCOPAWWHROA-UHFFFAOYSA-N
MW442.40 g/mol
LogP3.82
Rot. Bonds3

About (3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone

(3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone (PubChem CID 110233973) has the molecular formula C21H17F3N6O2 and a molecular weight of 442.40 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
PubChem CID110233973
Molecular FormulaC21H17F3N6O2
Molecular Weight442.40 g/mol
Exact Mass442.14
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)no1)N1CCCC(c2cc(C(F)(F)F)n3ncnc3n2)C1
InChIInChI=1S/C21H17F3N6O2/c22-21(23,24)18-10-15(27-20-25-12-26-30(18)20)14-7-4-8-29(11-14)19(31)17-9-16(28-32-17)13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14H,4,7-8,11H2
InChIKeyVXLPCOPAWWHROA-UHFFFAOYSA-N
XLogP3.82
TPSA89.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone (CID 110233973) is (3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone is O=C(c1cc(-c2ccccc2)no1)N1CCCC(c2cc(C(F)(F)F)n3ncnc3n2)C1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?
The InChIKey is VXLPCOPAWWHROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O2/c22-21(23,24)18-10-15(27-20-25-12-26-30(18)20)14-7-4-8-29(11-14)19(31)17-9-16(28-32-17)13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14H,4,7-8,11H2.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone?
(3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone has a molecular weight of 442.40 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)-[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110233973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).