2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole

C14H18F3N5O — CID 128978699

IUPAC2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCCC(c3nc(C(F)(F)F)cn3C)C2)o1
InChIInChI=1S/C14H18F3N5O/c1-9-19-20-12(23-9)8-22-5-3-4-10(6-22)13-18-11(7-21(13)2)14(15,16)17/h7,10H,3-6,8H2,1-2H3
InChIKeyLOIOLKAXLZXMDB-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.51
Rot. Bonds3

About 2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole

2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 128978699) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID128978699
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC Name2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCCC(c3nc(C(F)(F)F)cn3C)C2)o1
InChIInChI=1S/C14H18F3N5O/c1-9-19-20-12(23-9)8-22-5-3-4-10(6-22)13-18-11(7-21(13)2)14(15,16)17/h7,10H,3-6,8H2,1-2H3
InChIKeyLOIOLKAXLZXMDB-UHFFFAOYSA-N
XLogP2.51
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 128978699) is 2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1nnc(CN2CCCC(c3nc(C(F)(F)F)cn3C)C2)o1.
What is the InChIKey of 2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is LOIOLKAXLZXMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-9-19-20-12(23-9)8-22-5-3-4-10(6-22)13-18-11(7-21(13)2)14(15,16)17/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 329.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 128978699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).