N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C25H20ClF3N6O2 — CID 67409540

IUPACN-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ncccc3Cl)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C25H20ClF3N6O2/c26-18-7-4-10-30-22(18)35-13-11-34(12-14-35)19-9-8-17(15-31-19)32-23(36)20-21(25(27,28)29)33-24(37-20)16-5-2-1-3-6-16/h1-10,15H,11-14H2,(H,32,36)
InChIKeyBLHFLUAGYNAQSR-UHFFFAOYSA-N
MW528.92 g/mol
LogP5.38
Rot. Bonds5

About N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 67409540) has the molecular formula C25H20ClF3N6O2 and a molecular weight of 528.92 g/mol. Its IUPAC name is N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID67409540
Molecular FormulaC25H20ClF3N6O2
Molecular Weight528.92 g/mol
Exact Mass528.13
IUPAC NameN-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ncccc3Cl)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C25H20ClF3N6O2/c26-18-7-4-10-30-22(18)35-13-11-34(12-14-35)19-9-8-17(15-31-19)32-23(36)20-21(25(27,28)29)33-24(37-20)16-5-2-1-3-6-16/h1-10,15H,11-14H2,(H,32,36)
InChIKeyBLHFLUAGYNAQSR-UHFFFAOYSA-N
XLogP5.38
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.92
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Dgat1-IN-3
CID 16757107
[2-(3-Chloro-benzyl)-oxazolo[4,5-c]pyridin-4-yl]-(2-piperidin-2-yl-ethyl)-amine
CID 10067786
2-phenyl-N-(6-(piperazin-1-yl)pyridin-3-yl)-4-(trifluoromethyl)oxazole-5-carboxamide
CID 44528432
2-[(3-chlorophenyl)methyl]-N-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]-6-methyl-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 10002821
[2-(3-Chloro-benzyl)-6-methyl-oxazolo[4,5-c]pyridin-4-yl]-(2,2-difluoro-2-pyridin-2-yl-ethyl)-amine
CID 10387118
[2-(3-Chloro-benzyl)-oxazolo[4,5-c]pyridin-4-yl]-(2,2-difluoro-2-piperidin-2-yl-ethyl)-amine
CID 10409093
2-[(3-chlorophenyl)methyl]-N-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 11742672
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069007
N-(6-((2-Methoxyethyl)(methyl)amino)pyridin-3-yl)-2-phenyl-4-(trifluoromethyl)oxazole-5-carboxamide
CID 16112851
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757011
5-Chloro-2-phenyl-oxazole-4-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 16757106
3-[[1-[5-[[2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid
CID 46208314

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 67409540) is N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCN(c3ncccc3Cl)CC2)nc1)c1oc(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is BLHFLUAGYNAQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N6O2/c26-18-7-4-10-30-22(18)35-13-11-34(12-14-35)19-9-8-17(15-31-19)32-23(36)20-21(25(27,28)29)33-24(37-20)16-5-2-1-3-6-16/h1-10,15H,11-14H2,(H,32,36).
What are the key properties of N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 528.92 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67409540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).