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

C14H18F3N5O — CID 129346469

IUPAC5-methyl-3-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)no1
InChIInChI=1S/C14H18F3N5O/c1-9-18-12(20-23-9)8-22-5-3-4-10(6-22)13-19-11(7-21(13)2)14(15,16)17/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyOFJQXWOEJKZXER-JTQLQIEISA-N
MW329.33 g/mol
LogP2.51
Rot. Bonds3

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

5-methyl-3-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 129346469) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is 5-methyl-3-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID129346469
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC Name5-methyl-3-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)no1
InChIInChI=1S/C14H18F3N5O/c1-9-18-12(20-23-9)8-22-5-3-4-10(6-22)13-19-11(7-21(13)2)14(15,16)17/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyOFJQXWOEJKZXER-JTQLQIEISA-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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 129346469) is 5-methyl-3-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)no1.
What is the InChIKey of 5-methyl-3-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is OFJQXWOEJKZXER-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-9-18-12(20-23-9)8-22-5-3-4-10(6-22)13-19-11(7-21(13)2)14(15,16)17/h7,10H,3-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 5-methyl-3-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-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 5-methyl-3-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 129346469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).