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

C11H16F3N3O — CID 154749501

IUPAC2-ethyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCC(C(F)(F)F)CC2)o1
InChIInChI=1S/C11H16F3N3O/c1-2-9-15-16-10(18-9)7-17-5-3-8(4-6-17)11(12,13)14/h8H,2-7H2,1H3
InChIKeyYLVHCDSYMZHXDA-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.41
Rot. Bonds3

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

2-ethyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 154749501) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-ethyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID154749501
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-ethyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCC(C(F)(F)F)CC2)o1
InChIInChI=1S/C11H16F3N3O/c1-2-9-15-16-10(18-9)7-17-5-3-8(4-6-17)11(12,13)14/h8H,2-7H2,1H3
InChIKeyYLVHCDSYMZHXDA-UHFFFAOYSA-N
XLogP2.41
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 154749501) is 2-ethyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is CCc1nnc(CN2CCC(C(F)(F)F)CC2)o1.
What is the InChIKey of 2-ethyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is YLVHCDSYMZHXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-9-15-16-10(18-9)7-17-5-3-8(4-6-17)11(12,13)14/h8H,2-7H2,1H3.
What are the key properties of 2-ethyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-ethyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 263.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 154749501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).