1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone

C17H19F3N4O2 — CID 159764817

IUPAC1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone
SMILESCc1nc(C(=O)Cc2ccc(CN3CCNCC3)nc2)c(C(F)(F)F)o1
InChIInChI=1S/C17H19F3N4O2/c1-11-23-15(16(26-11)17(18,19)20)14(25)8-12-2-3-13(22-9-12)10-24-6-4-21-5-7-24/h2-3,9,21H,4-8,10H2,1H3
InChIKeyNFJBDCJCVQSQDG-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.23
Rot. Bonds5

About 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone

1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone (PubChem CID 159764817) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone
PubChem CID159764817
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone
SMILESCc1nc(C(=O)Cc2ccc(CN3CCNCC3)nc2)c(C(F)(F)F)o1
InChIInChI=1S/C17H19F3N4O2/c1-11-23-15(16(26-11)17(18,19)20)14(25)8-12-2-3-13(22-9-12)10-24-6-4-21-5-7-24/h2-3,9,21H,4-8,10H2,1H3
InChIKeyNFJBDCJCVQSQDG-UHFFFAOYSA-N
XLogP2.23
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone with MolForge

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Related Compounds

5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-[2-(pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 24901446
N-[6-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyridin-3-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 52936841
Methyl 4-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]pyridin-2-yl]piperidine-1-carboxylate
CID 52936842
N-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
CID 51361508
1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3244047
(5S)-5-{[({5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)(pyridin-2-ylmethyl)amino]methyl}pyrrolidin-2-one
CID 16191311
N-butyl-2-pyridin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 53382903
(2-Cyclobutyl-5-methyl-1,3-oxazol-4-yl)[2-(3-pyridyl)piperidino]methanone
CID 53195327
2-cyclobutyl-5-methyl-N-(1-pyridin-3-ylethyl)-1,3-oxazole-4-carboxamide
CID 53195342
2-phenyl-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 4143248
2-(4-fluorophenyl)-5-methyl-N-[phenyl(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 16676159
2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
CID 122153243

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone (CID 159764817) is 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone is Cc1nc(C(=O)Cc2ccc(CN3CCNCC3)nc2)c(C(F)(F)F)o1.
What is the InChIKey of 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone?
The InChIKey is NFJBDCJCVQSQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-11-23-15(16(26-11)17(18,19)20)14(25)8-12-2-3-13(22-9-12)10-24-6-4-21-5-7-24/h2-3,9,21H,4-8,10H2,1H3.
What are the key properties of 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone?
1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone has a molecular weight of 368.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 159764817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).