3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole

C16H17F3N6O — CID 166605079

IUPAC3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(c3nccn4cc(C(F)(F)F)nc34)CC2)on1
InChIInChI=1S/C16H17F3N6O/c1-11-8-12(26-22-11)9-23-4-6-24(7-5-23)14-15-21-13(16(17,18)19)10-25(15)3-2-20-14/h2-3,8,10H,4-7,9H2,1H3
InChIKeyFUHADYDWMUFMDN-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.37
Rot. Bonds3

About 3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole

3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 166605079) has the molecular formula C16H17F3N6O and a molecular weight of 366.35 g/mol. Its IUPAC name is 3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID166605079
Molecular FormulaC16H17F3N6O
Molecular Weight366.35 g/mol
Exact Mass366.14
IUPAC Name3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(c3nccn4cc(C(F)(F)F)nc34)CC2)on1
InChIInChI=1S/C16H17F3N6O/c1-11-8-12(26-22-11)9-23-4-6-24(7-5-23)14-15-21-13(16(17,18)19)10-25(15)3-2-20-14/h2-3,8,10H,4-7,9H2,1H3
InChIKeyFUHADYDWMUFMDN-UHFFFAOYSA-N
XLogP2.37
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole (CID 166605079) is 3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN(c3nccn4cc(C(F)(F)F)nc34)CC2)on1.
What is the InChIKey of 3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is FUHADYDWMUFMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O/c1-11-8-12(26-22-11)9-23-4-6-24(7-5-23)14-15-21-13(16(17,18)19)10-25(15)3-2-20-14/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 366.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 166605079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).