2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole

C20H25FN6O — CID 129324629

IUPAC2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCC(C)(C)n1cc(CN2CCCC[C@@H]2c2nnc(-c3ccccc3F)o2)nn1
InChIInChI=1S/C20H25FN6O/c1-20(2,3)27-13-14(22-25-27)12-26-11-7-6-10-17(26)19-24-23-18(28-19)15-8-4-5-9-16(15)21/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3/t17-/m1/s1
InChIKeyPODFGYZAQLWDFX-QGZVFWFLSA-N
MW384.46 g/mol
LogP3.95
Rot. Bonds4

About 2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole

2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 129324629) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID129324629
Molecular FormulaC20H25FN6O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC Name2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCC(C)(C)n1cc(CN2CCCC[C@@H]2c2nnc(-c3ccccc3F)o2)nn1
InChIInChI=1S/C20H25FN6O/c1-20(2,3)27-13-14(22-25-27)12-26-11-7-6-10-17(26)19-24-23-18(28-19)15-8-4-5-9-16(15)21/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3/t17-/m1/s1
InChIKeyPODFGYZAQLWDFX-QGZVFWFLSA-N
XLogP3.95
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (CID 129324629) is 2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is CC(C)(C)n1cc(CN2CCCC[C@@H]2c2nnc(-c3ccccc3F)o2)nn1.
What is the InChIKey of 2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is PODFGYZAQLWDFX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25FN6O/c1-20(2,3)27-13-14(22-25-27)12-26-11-7-6-10-17(26)19-24-23-18(28-19)15-8-4-5-9-16(15)21/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 384.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-2-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 129324629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).