2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide

C19H23F3N4O2 — CID 126775139

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide
SMILESCc1nnc(-c2ccccc2C(=O)NCCC2CCN(CC(F)(F)F)CC2)o1
InChIInChI=1S/C19H23F3N4O2/c1-13-24-25-18(28-13)16-5-3-2-4-15(16)17(27)23-9-6-14-7-10-26(11-8-14)12-19(20,21)22/h2-5,14H,6-12H2,1H3,(H,23,27)
InChIKeyHYSJODMDZMSORR-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.44
Rot. Bonds6

About 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide

2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide (PubChem CID 126775139) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide
PubChem CID126775139
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide
SMILESCc1nnc(-c2ccccc2C(=O)NCCC2CCN(CC(F)(F)F)CC2)o1
InChIInChI=1S/C19H23F3N4O2/c1-13-24-25-18(28-13)16-5-3-2-4-15(16)17(27)23-9-6-14-7-10-26(11-8-14)12-19(20,21)22/h2-5,14H,6-12H2,1H3,(H,23,27)
InChIKeyHYSJODMDZMSORR-UHFFFAOYSA-N
XLogP3.44
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide (CID 126775139) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide is Cc1nnc(-c2ccccc2C(=O)NCCC2CCN(CC(F)(F)F)CC2)o1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide?
The InChIKey is HYSJODMDZMSORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-13-24-25-18(28-13)16-5-3-2-4-15(16)17(27)23-9-6-14-7-10-26(11-8-14)12-19(20,21)22/h2-5,14H,6-12H2,1H3,(H,23,27).
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide?
2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide has a molecular weight of 396.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 126775139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).