5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

C14H22N6O — CID 95973173

IUPAC5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CN2CCC[C@@H](c3ncn[nH]3)C2)no1
InChIInChI=1S/C14H22N6O/c1-14(2,3)13-17-11(19-21-13)8-20-6-4-5-10(7-20)12-15-9-16-18-12/h9-10H,4-8H2,1-3H3,(H,15,16,18)/t10-/m1/s1
InChIKeyGIWBSHXEFYCGQG-SNVBAGLBSA-N
MW290.37 g/mol
LogP1.86
Rot. Bonds3

About 5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 95973173) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID95973173
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CN2CCC[C@@H](c3ncn[nH]3)C2)no1
InChIInChI=1S/C14H22N6O/c1-14(2,3)13-17-11(19-21-13)8-20-6-4-5-10(7-20)12-15-9-16-18-12/h9-10H,4-8H2,1-3H3,(H,15,16,18)/t10-/m1/s1
InChIKeyGIWBSHXEFYCGQG-SNVBAGLBSA-N
XLogP1.86
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 95973173) is 5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is CC(C)(C)c1nc(CN2CCC[C@@H](c3ncn[nH]3)C2)no1.
What is the InChIKey of 5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is GIWBSHXEFYCGQG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N6O/c1-14(2,3)13-17-11(19-21-13)8-20-6-4-5-10(7-20)12-15-9-16-18-12/h9-10H,4-8H2,1-3H3,(H,15,16,18)/t10-/m1/s1.
What are the key properties of 5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 290.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95973173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).