methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole

C19H36N4OS — CID 158726243

About methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole

methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 158726243) has the molecular formula C19H36N4OS and a molecular weight of 368.59 g/mol. Its IUPAC name is methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

• Compound Name: methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole
• PubChem CID: 158726243
• Molecular Formula: C19H36N4OS
• Molecular Weight: 368.59 g/mol
• Exact Mass: 368.26
• IUPAC Name: methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole
• SMILES: C.CC(C)Cc1nc(C(C)C)no1.CC(C)Cc1nnc(C(C)C)s1
• InChI: InChI=1S/C9H16N2O.C9H16N2S.CH4/c1-6(2)5-8-10-9(7(3)4)11-12-8;1-6(2)5-8-10-11-9(12-8)7(3)4;/h2*6-7H,5H2,1-4H3;1H4
• InChIKey: IKNNTLPUTKTWHQ-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 64.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.59
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole?

The IUPAC name of methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole (CID 158726243) is methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole.

What is the SMILES notation for methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole?

The canonical SMILES for methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole is C.CC(C)Cc1nc(C(C)C)no1.CC(C)Cc1nnc(C(C)C)s1.

What is the InChIKey of methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole?

The InChIKey is IKNNTLPUTKTWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C9H16N2S.CH4/c1-6(2)5-8-10-9(7(3)4)11-12-8;1-6(2)5-8-10-11-9(12-8)7(3)4;/h2*6-7H,5H2,1-4H3;1H4.

What are the key properties of methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole?

methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 368.59 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methane;5-(2-methylpropyl)-3-propan-2-yl-1,2,4-oxadiazole;2-(2-methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 158726243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).