5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C18H24N8O — CID 47055033

IUPAC5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CN2CCN(c3nnnn3-c3ccccc3)CC2)no1
InChIInChI=1S/C18H24N8O/c1-18(2,3)16-19-15(21-27-16)13-24-9-11-25(12-10-24)17-20-22-23-26(17)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKeyOTGUXYKUKUMUFS-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.66
Rot. Bonds4

About 5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 47055033) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID47055033
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(CN2CCN(c3nnnn3-c3ccccc3)CC2)no1
InChIInChI=1S/C18H24N8O/c1-18(2,3)16-19-15(21-27-16)13-24-9-11-25(12-10-24)17-20-22-23-26(17)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKeyOTGUXYKUKUMUFS-UHFFFAOYSA-N
XLogP1.66
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 47055033) is 5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is CC(C)(C)c1nc(CN2CCN(c3nnnn3-c3ccccc3)CC2)no1.
What is the InChIKey of 5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is OTGUXYKUKUMUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-18(2,3)16-19-15(21-27-16)13-24-9-11-25(12-10-24)17-20-22-23-26(17)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3.
What are the key properties of 5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 368.45 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47055033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).