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

C15H17F3N4O — CID 154828834

IUPAC2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)co1
InChIInChI=1S/C15H17F3N4O/c1-11-20-13(10-23-11)9-21-4-6-22(7-5-21)14-3-2-12(8-19-14)15(16,17)18/h2-3,8,10H,4-7,9H2,1H3
InChIKeyFKZFJQKIZIFHRO-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.72
Rot. Bonds3

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

2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 154828834) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID154828834
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)co1
InChIInChI=1S/C15H17F3N4O/c1-11-20-13(10-23-11)9-21-4-6-22(7-5-21)14-3-2-12(8-19-14)15(16,17)18/h2-3,8,10H,4-7,9H2,1H3
InChIKeyFKZFJQKIZIFHRO-UHFFFAOYSA-N
XLogP2.72
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 154583028
1-[(4-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 45277944
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 78782251
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 26601789
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
CID 174557120
1-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 2810008
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 38559713
2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline
CID 171327302
2-butyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 55648749
3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171327275
2-phenyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 27122809

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole (CID 154828834) is 2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole is Cc1nc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)co1.
What is the InChIKey of 2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is FKZFJQKIZIFHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-11-20-13(10-23-11)9-21-4-6-22(7-5-21)14-3-2-12(8-19-14)15(16,17)18/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole?
2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 326.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 154828834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).