5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole

C24H23F3N6O — CID 68974333

IUPAC5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole
SMILESCC1CN(Cc2cn[nH]c2-c2ccc(-c3ccno3)cc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H23F3N6O/c1-16-14-32(10-11-33(16)22-7-6-20(13-28-22)24(25,26)27)15-19-12-29-31-23(19)18-4-2-17(3-5-18)21-8-9-30-34-21/h2-9,12-13,16H,10-11,14-15H2,1H3,(H,29,31)
InChIKeyLDPAIASFOFPSDX-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.86
Rot. Bonds5

About 5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole

5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole (PubChem CID 68974333) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is 5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole
PubChem CID68974333
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole
SMILESCC1CN(Cc2cn[nH]c2-c2ccc(-c3ccno3)cc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H23F3N6O/c1-16-14-32(10-11-33(16)22-7-6-20(13-28-22)24(25,26)27)15-19-12-29-31-23(19)18-4-2-17(3-5-18)21-8-9-30-34-21/h2-9,12-13,16H,10-11,14-15H2,1H3,(H,29,31)
InChIKeyLDPAIASFOFPSDX-UHFFFAOYSA-N
XLogP4.86
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole?
The IUPAC name of 5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole (CID 68974333) is 5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole.
What is the SMILES notation for 5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole?
The canonical SMILES for 5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole is CC1CN(Cc2cn[nH]c2-c2ccc(-c3ccno3)cc2)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole?
The InChIKey is LDPAIASFOFPSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O/c1-16-14-32(10-11-33(16)22-7-6-20(13-28-22)24(25,26)27)15-19-12-29-31-23(19)18-4-2-17(3-5-18)21-8-9-30-34-21/h2-9,12-13,16H,10-11,14-15H2,1H3,(H,29,31).
What are the key properties of 5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole?
5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole has a molecular weight of 468.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole is sourced from PubChem (CID 68974333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).