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

C10H14F3N3O — CID 122243077

IUPAC2-methyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCC(C(F)(F)F)CC2)o1
InChIInChI=1S/C10H14F3N3O/c1-7-14-15-9(17-7)6-16-4-2-8(3-5-16)10(11,12)13/h8H,2-6H2,1H3
InChIKeyBCZWQDYSNFCSGM-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.15
Rot. Bonds2

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

2-methyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 122243077) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-methyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID122243077
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-methyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCC(C(F)(F)F)CC2)o1
InChIInChI=1S/C10H14F3N3O/c1-7-14-15-9(17-7)6-16-4-2-8(3-5-16)10(11,12)13/h8H,2-6H2,1H3
InChIKeyBCZWQDYSNFCSGM-UHFFFAOYSA-N
XLogP2.15
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 122243077) is 2-methyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1nnc(CN2CCC(C(F)(F)F)CC2)o1.
What is the InChIKey of 2-methyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is BCZWQDYSNFCSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7-14-15-9(17-7)6-16-4-2-8(3-5-16)10(11,12)13/h8H,2-6H2,1H3.
What are the key properties of 2-methyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 249.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 122243077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).