2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole

C10H14F3N3O — CID 176677371

IUPAC2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc(C2C[C@H](C(F)(F)F)C[C@@H](C)N2)o1
InChIInChI=1S/C10H14F3N3O/c1-5-3-7(10(11,12)13)4-8(14-5)9-16-15-6(2)17-9/h5,7-8,14H,3-4H2,1-2H3/t5-,7-,8?/m1/s1
InChIKeyRVWJRWHZHHYKPY-ULFNDUEJSA-N
MW249.24 g/mol
LogP2.37
Rot. Bonds1

About 2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole

2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole (PubChem CID 176677371) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole
PubChem CID176677371
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc(C2C[C@H](C(F)(F)F)C[C@@H](C)N2)o1
InChIInChI=1S/C10H14F3N3O/c1-5-3-7(10(11,12)13)4-8(14-5)9-16-15-6(2)17-9/h5,7-8,14H,3-4H2,1-2H3/t5-,7-,8?/m1/s1
InChIKeyRVWJRWHZHHYKPY-ULFNDUEJSA-N
XLogP2.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole (CID 176677371) is 2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole is Cc1nnc(C2C[C@H](C(F)(F)F)C[C@@H](C)N2)o1.
What is the InChIKey of 2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is RVWJRWHZHHYKPY-ULFNDUEJSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-5-3-7(10(11,12)13)4-8(14-5)9-16-15-6(2)17-9/h5,7-8,14H,3-4H2,1-2H3/t5-,7-,8?/m1/s1.
What are the key properties of 2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole?
2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 249.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4R,6R)-6-methyl-4-(trifluoromethyl)piperidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 176677371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).