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

C21H19F3N4O2 — CID 53064596

IUPAC[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1nc(-c2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc2)no1
InChIInChI=1S/C21H19F3N4O2/c1-14-25-19(26-30-14)15-6-8-16(9-7-15)27-10-12-28(13-11-27)20(29)17-4-2-3-5-18(17)21(22,23)24/h2-9H,10-13H2,1H3
InChIKeyTVXJZPNELIELKZ-UHFFFAOYSA-N
MW416.40 g/mol
LogP4.03
Rot. Bonds3

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

[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 53064596) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is [4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID53064596
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC Name[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1nc(-c2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc2)no1
InChIInChI=1S/C21H19F3N4O2/c1-14-25-19(26-30-14)15-6-8-16(9-7-15)27-10-12-28(13-11-27)20(29)17-4-2-3-5-18(17)21(22,23)24/h2-9H,10-13H2,1H3
InChIKeyTVXJZPNELIELKZ-UHFFFAOYSA-N
XLogP4.03
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53041886
N-[4-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide
CID 53041887
[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53064590
N-[1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 53041884
cyclobutyl-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033521
N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 53005791
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 46093497
2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53033532
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 50828762
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
4-[4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 46323974

Frequently Asked Questions

What is the IUPAC name of [4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 53064596) is [4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is Cc1nc(-c2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc2)no1.
What is the InChIKey of [4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is TVXJZPNELIELKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c1-14-25-19(26-30-14)15-6-8-16(9-7-15)27-10-12-28(13-11-27)20(29)17-4-2-3-5-18(17)21(22,23)24/h2-9H,10-13H2,1H3.
What are the key properties of [4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 416.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 53064596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).