bis(N,2-dimethylpropanamide);bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;3-methyl-5-propan-2-ylpyran-4-one;5-propan-2-yl-1,2-oxazol-3-one;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one

C58H98N16O10S3 — CID 158799349

About bis(N,2-dimethylpropanamide);bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;3-methyl-5-propan-2-ylpyran-4-one;5-propan-2-yl-1,2-oxazol-3-one;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one

bis(N,2-dimethylpropanamide);bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;3-methyl-5-propan-2-ylpyran-4-one;5-propan-2-yl-1,2-oxazol-3-one;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one (PubChem CID 158799349) has the molecular formula C58H98N16O10S3 and a molecular weight of 1275.72 g/mol. Its IUPAC name is bis(N,2-dimethylpropanamide);bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;3-methyl-5-propan-2-ylpyran-4-one;5-propan-2-yl-1,2-oxazol-3-one;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one.

Molecular Properties

• Compound Name: bis(N,2-dimethylpropanamide);bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;3-methyl-5-propan-2-ylpyran-4-one;5-propan-2-yl-1,2-oxazol-3-one;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one
• PubChem CID: 158799349
• Molecular Formula: C58H98N16O10S3
• Molecular Weight: 1275.72 g/mol
• Exact Mass: 1274.68
• IUPAC Name: bis(N,2-dimethylpropanamide);bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;3-methyl-5-propan-2-ylpyran-4-one;5-propan-2-yl-1,2-oxazol-3-one;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one
• SMILES: C=C1N=C(C(C)C)NO1.C=C1N=C(C(C)C)NO1.C=C1N=C(C(C)C)NS1.CC(C)c1cc(=O)[nH]o1.CC(C)c1cc(=O)[nH]s1.CC(C)c1nn[nH]n1.CC(C)c1ns[nH]c1=O.CNC(=O)C(C)C.CNC(=O)C(C)C.Cc1cocc(C(C)C)c1=O
• InChI: InChI=1S/C9H12O2.2C6H10N2O.C6H10N2S.C6H9NO2.C6H9NOS.C5H8N2OS.2C5H11NO.C4H8N4/c1-6(2)8-5-11-4-7(3)9(8)10;3*1-4(2)6-7-5(3)9-8-6;2*1-4(2)5-3-6(8)7-9-5;1-3(2)4-5(8)7-9-6-4;2*1-4(2)5(7)6-3;1-3(2)4-5-7-8-6-4/h4-6H,1-3H3;3*4H,3H2,1-2H3,(H,7,8);2*3-4H,1-2H3,(H,7,8);3H,1-2H3,(H,7,8);2*4H,1-3H3,(H,6,7);3H,1-2H3,(H,5,6,7,8)
• InChIKey: ITGYPLURCCGLLE-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 359.11 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1275.72
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N,2-dimethylpropanamide);bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;3-methyl-5-propan-2-ylpyran-4-one;5-propan-2-yl-1,2-oxazol-3-one;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one?

The IUPAC name of bis(N,2-dimethylpropanamide);bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;3-methyl-5-propan-2-ylpyran-4-one;5-propan-2-yl-1,2-oxazol-3-one;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one (CID 158799349) is bis(N,2-dimethylpropanamide);bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;3-methyl-5-propan-2-ylpyran-4-one;5-propan-2-yl-1,2-oxazol-3-one;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one.

What is the SMILES notation for bis(N,2-dimethylpropanamide);bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;3-methyl-5-propan-2-ylpyran-4-one;5-propan-2-yl-1,2-oxazol-3-one;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one?

The canonical SMILES for bis(N,2-dimethylpropanamide);bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;3-methyl-5-propan-2-ylpyran-4-one;5-propan-2-yl-1,2-oxazol-3-one;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one is C=C1N=C(C(C)C)NO1.C=C1N=C(C(C)C)NO1.C=C1N=C(C(C)C)NS1.CC(C)c1cc(=O)[nH]o1.CC(C)c1cc(=O)[nH]s1.CC(C)c1nn[nH]n1.CC(C)c1ns[nH]c1=O.CNC(=O)C(C)C.CNC(=O)C(C)C.Cc1cocc(C(C)C)c1=O.

What is the InChIKey of bis(N,2-dimethylpropanamide);bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;3-methyl-5-propan-2-ylpyran-4-one;5-propan-2-yl-1,2-oxazol-3-one;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one?

The InChIKey is ITGYPLURCCGLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.2C6H10N2O.C6H10N2S.C6H9NO2.C6H9NOS.C5H8N2OS.2C5H11NO.C4H8N4/c1-6(2)8-5-11-4-7(3)9(8)10;3*1-4(2)6-7-5(3)9-8-6;2*1-4(2)5-3-6(8)7-9-5;1-3(2)4-5(8)7-9-6-4;2*1-4(2)5(7)6-3;1-3(2)4-5-7-8-6-4/h4-6H,1-3H3;3*4H,3H2,1-2H3,(H,7,8);2*3-4H,1-2H3,(H,7,8);3H,1-2H3,(H,7,8);2*4H,1-3H3,(H,6,7);3H,1-2H3,(H,5,6,7,8).

What are the key properties of bis(N,2-dimethylpropanamide);bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;3-methyl-5-propan-2-ylpyran-4-one;5-propan-2-yl-1,2-oxazol-3-one;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one?

bis(N,2-dimethylpropanamide);bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;3-methyl-5-propan-2-ylpyran-4-one;5-propan-2-yl-1,2-oxazol-3-one;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one has a molecular weight of 1275.72 g/mol, XLogP of 10.63, 10 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N,2-dimethylpropanamide);bis(5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole);5-methylidene-3-propan-2-yl-2H-1,2,4-thiadiazole;3-methyl-5-propan-2-ylpyran-4-one;5-propan-2-yl-1,2-oxazol-3-one;5-propan-2-yl-2H-tetrazole;4-propan-2-yl-1,2,5-thiadiazol-3-one;5-propan-2-yl-1,2-thiazol-3-one is sourced from PubChem (CID 158799349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).