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

C26H21ClF3N5O2 — CID 58431682

IUPAC2-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESO=C(Cc1ccc(N2CCN(c3ncccc3Cl)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C26H21ClF3N5O2/c27-19-7-4-10-31-24(19)35-13-11-34(12-14-35)21-9-8-17(16-32-21)15-20(36)22-23(26(28,29)30)33-25(37-22)18-5-2-1-3-6-18/h1-10,16H,11-15H2
InChIKeyDTNULFPPOYBPDP-UHFFFAOYSA-N
MW527.93 g/mol
LogP5.56
Rot. Bonds6

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

2-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (PubChem CID 58431682) has the molecular formula C26H21ClF3N5O2 and a molecular weight of 527.93 g/mol. Its IUPAC name is 2-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
PubChem CID58431682
Molecular FormulaC26H21ClF3N5O2
Molecular Weight527.93 g/mol
Exact Mass527.13
IUPAC Name2-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESO=C(Cc1ccc(N2CCN(c3ncccc3Cl)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C26H21ClF3N5O2/c27-19-7-4-10-31-24(19)35-13-11-34(12-14-35)21-9-8-17(16-32-21)15-20(36)22-23(26(28,29)30)33-25(37-22)18-5-2-1-3-6-18/h1-10,16H,11-15H2
InChIKeyDTNULFPPOYBPDP-UHFFFAOYSA-N
XLogP5.56
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.93
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-N-(6-(piperazin-1-yl)pyridin-3-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 44528432
N-(6-((2-Methoxyethyl)(methyl)amino)pyridin-3-yl)-2-phenyl-4-(trifluoromethyl)oxazole-5-carboxamide
CID 16112851
N3-(3-Chloro-4-fluorophenyl)-7-(2-morpholino-pyridin-4-yl)furo[2,3-c]pyridine-2,3-diamine
CID 117704863
1-[(1-{[2-(4-Ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-4-yl)carbonyl]-4-pyridin-2-ylpiperazine
CID 3239292
[1-[[5-Methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 5309518
1-{[2-(2-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(6-methylpyridin-2-yl)piperazine
CID 16190897
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 44528443
Ethyl 2-[1-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetate
CID 72545308
Ethyl 4-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 72545309
N-[6-[4-[(2-chlorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 72545310
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069006
4-[3-chloro-5-[2-(hydroxymethyl)-1,3-oxazol-5-yl]pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042663

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 2-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (CID 58431682) is 2-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 2-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 2-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is O=C(Cc1ccc(N2CCN(c3ncccc3Cl)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 2-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The InChIKey is DTNULFPPOYBPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N5O2/c27-19-7-4-10-31-24(19)35-13-11-34(12-14-35)21-9-8-17(16-32-21)15-20(36)22-23(26(28,29)30)33-25(37-22)18-5-2-1-3-6-18/h1-10,16H,11-15H2.
What are the key properties of 2-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
2-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 527.93 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 58431682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).