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

C11H17N7O — CID 146133631

IUPAC5-methyl-3-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CC2CCN(c3nnnn3C)CC2)no1
InChIInChI=1S/C11H17N7O/c1-8-12-10(14-19-8)7-9-3-5-18(6-4-9)11-13-15-16-17(11)2/h9H,3-7H2,1-2H3
InChIKeyVZJNILBGGVSPPS-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.36
Rot. Bonds3

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

5-methyl-3-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole (PubChem CID 146133631) has the molecular formula C11H17N7O and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-methyl-3-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole
PubChem CID146133631
Molecular FormulaC11H17N7O
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name5-methyl-3-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CC2CCN(c3nnnn3C)CC2)no1
InChIInChI=1S/C11H17N7O/c1-8-12-10(14-19-8)7-9-3-5-18(6-4-9)11-13-15-16-17(11)2/h9H,3-7H2,1-2H3
InChIKeyVZJNILBGGVSPPS-UHFFFAOYSA-N
XLogP0.36
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole (CID 146133631) is 5-methyl-3-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole is Cc1nc(CC2CCN(c3nnnn3C)CC2)no1.
What is the InChIKey of 5-methyl-3-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is VZJNILBGGVSPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-8-12-10(14-19-8)7-9-3-5-18(6-4-9)11-13-15-16-17(11)2/h9H,3-7H2,1-2H3.
What are the key properties of 5-methyl-3-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 263.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146133631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).