methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole

C43H73N13O5S — CID 159665118

About methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole

methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 159665118) has the molecular formula C43H73N13O5S and a molecular weight of 884.21 g/mol. Its IUPAC name is methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole
• PubChem CID: 159665118
• Molecular Formula: C43H73N13O5S
• Molecular Weight: 884.21 g/mol
• Exact Mass: 883.56
• IUPAC Name: methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole
• SMILES: C.C=C1CN=C(C(C)C)O1.C=C1N=C(C(C)C)NO1.C=C1N=C(C(C)C)NO1.C=C1N=C(C(C)C)NS1.CC(C)C1=NCC(=O)O1.CC(C)c1cnc[nH]1.CC(C)c1ncn[nH]1
• InChI: InChI=1S/C7H11NO.2C6H10N2O.C6H10N2S.C6H10N2.C6H9NO2.C5H9N3.CH4/c1-5(2)7-8-4-6(3)9-7;3*1-4(2)6-7-5(3)9-8-6;1-5(2)6-3-7-4-8-6;1-4(2)6-7-3-5(8)9-6;1-4(2)5-6-3-7-8-5;/h5H,3-4H2,1-2H3;3*4H,3H2,1-2H3,(H,7,8);3-5H,1-2H3,(H,7,8);4H,3H2,1-2H3;3-4H,1-2H3,(H,6,7,8);1H4
• InChIKey: MTHPQVLPPLBRKN-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 222.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	884.21
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole?

The IUPAC name of methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole (CID 159665118) is methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole.

What is the SMILES notation for methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole?

The canonical SMILES for methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole is C.C=C1CN=C(C(C)C)O1.C=C1N=C(C(C)C)NO1.C=C1N=C(C(C)C)NO1.C=C1N=C(C(C)C)NS1.CC(C)C1=NCC(=O)O1.CC(C)c1cnc[nH]1.CC(C)c1ncn[nH]1.

What is the InChIKey of methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole?

The InChIKey is MTHPQVLPPLBRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.2C6H10N2O.C6H10N2S.C6H10N2.C6H9NO2.C5H9N3.CH4/c1-5(2)7-8-4-6(3)9-7;3*1-4(2)6-7-5(3)9-8-6;1-5(2)6-3-7-4-8-6;1-4(2)6-7-3-5(8)9-6;1-4(2)5-6-3-7-8-5;/h5H,3-4H2,1-2H3;3*4H,3H2,1-2H3,(H,7,8);3-5H,1-2H3,(H,7,8);4H,3H2,1-2H3;3-4H,1-2H3,(H,6,7,8);1H4.

What are the key properties of methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole?

methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 884.21 g/mol, XLogP of 9.14, 7 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for methane;bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-2-propan-2-yl-4H-1,3-oxazole;5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-1,3-oxazol-5-one;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 159665118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).