[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C21H20F3N5O2 — CID 53134080

IUPAC[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCCc1nnc(-c2cccnc2N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)o1
InChIInChI=1S/C21H20F3N5O2/c1-2-17-26-27-19(31-17)15-7-5-9-25-18(15)28-10-12-29(13-11-28)20(30)14-6-3-4-8-16(14)21(22,23)24/h3-9H,2,10-13H2,1H3
InChIKeyBZMUIJUKQKZQIG-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.68
Rot. Bonds4

About [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 53134080) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID53134080
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC Name[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCCc1nnc(-c2cccnc2N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)o1
InChIInChI=1S/C21H20F3N5O2/c1-2-17-26-27-19(31-17)15-7-5-9-25-18(15)28-10-12-29(13-11-28)20(30)14-6-3-4-8-16(14)21(22,23)24/h3-9H,2,10-13H2,1H3
InChIKeyBZMUIJUKQKZQIG-UHFFFAOYSA-N
XLogP3.68
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(4-{4-[3-(5-Methyl-[1,3,4]oxadiazol-2-yl)-pyridin-2-yl]-piperazin-1-yl}-butyl)-8-aza-spiro[4.5]decane-7,9-dione
CID 13771049
2-methyl-N-(5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 5078768
2-Phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162649027
2-(2,4-Difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162657748
2-(4-Fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162659720
2-(4-Pyridin-2-ylpiperazin-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 162660949
3-(5-(1-Methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl)-5-(p-tolyl)pyridin-2-amine
CID 77105955
4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90380957
2-(Difluoromethyl)-5-[4-[[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722132
5-(5-(4-(5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 162722250
1-[5-[5-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-methylurea
CID 162722799
3-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione
CID 163283146

Frequently Asked Questions

What is the IUPAC name of [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 53134080) is [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is CCc1nnc(-c2cccnc2N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)o1.
What is the InChIKey of [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is BZMUIJUKQKZQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c1-2-17-26-27-19(31-17)15-7-5-9-25-18(15)28-10-12-29(13-11-28)20(30)14-6-3-4-8-16(14)21(22,23)24/h3-9H,2,10-13H2,1H3.
What are the key properties of [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 431.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 53134080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).