potassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane

C43H48KN9O14Si — CID 157241200

IUPACpotassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane
SMILESCC(=O)O.COC(=O)C(=O)CC(C)=O.COC(=O)c1cc(C)nn1-c1nc2ccccc2o1.C[Si](C)(C)[O-].Cc1cc(C(=O)O)n(-c2nc3ccccc3o2)n1.NNc1nc2ccccc2o1.[K+]
InChIInChI=1S/C13H11N3O3.C12H9N3O3.C7H7N3O.C6H8O4.C3H9OSi.C2H4O2.K/c1-8-7-10(12(17)18-2)16(15-8)13-14-9-5-3-4-6-11(9)19-13;1-7-6-9(11(16)17)15(14-7)12-13-8-4-2-3-5-10(8)18-12;8-10-7-9-5-3-1-2-4-6(5)11-7;1-4(7)3-5(8)6(9)10-2;1-5(2,3)4;1-2(3)4;/h3-7H,1-2H3;2-6H,1H3,(H,16,17);1-4H,8H2,(H,9,10);3H2,1-2H3;1-3H3;1H3,(H,3,4);/q;;;;-1;;+1
InChIKeyOPRPHVUBQUFGEN-UHFFFAOYSA-N
MW982.09 g/mol
LogP2.23
Rot. Bonds8

About potassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane

potassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane (PubChem CID 157241200) has the molecular formula C43H48KN9O14Si and a molecular weight of 982.09 g/mol. Its IUPAC name is potassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane.

Molecular Properties

Compound Namepotassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane
PubChem CID157241200
Molecular FormulaC43H48KN9O14Si
Molecular Weight982.09 g/mol
Exact Mass981.27
IUPAC Namepotassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane
SMILESCC(=O)O.COC(=O)C(=O)CC(C)=O.COC(=O)c1cc(C)nn1-c1nc2ccccc2o1.C[Si](C)(C)[O-].Cc1cc(C(=O)O)n(-c2nc3ccccc3o2)n1.NNc1nc2ccccc2o1.[K+]
InChIInChI=1S/C13H11N3O3.C12H9N3O3.C7H7N3O.C6H8O4.C3H9OSi.C2H4O2.K/c1-8-7-10(12(17)18-2)16(15-8)13-14-9-5-3-4-6-11(9)19-13;1-7-6-9(11(16)17)15(14-7)12-13-8-4-2-3-5-10(8)18-12;8-10-7-9-5-3-1-2-4-6(5)11-7;1-4(7)3-5(8)6(9)10-2;1-5(2,3)4;1-2(3)4;/h3-7H,1-2H3;2-6H,1H3,(H,16,17);1-4H,8H2,(H,9,10);3H2,1-2H3;1-3H3;1H3,(H,3,4);/q;;;;-1;;+1
InChIKeyOPRPHVUBQUFGEN-UHFFFAOYSA-N
XLogP2.23
TPSA336.18 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.09
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze potassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane with MolForge

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Related Compounds

1,3-benzoxazol-2-ylhydrazine;1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methane;methyl 1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl (2E)-2-methoxyimino-4-oxopentanoate
CID 172965930
methane;methyl 5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxylic acid
CID 167620012
methyl 3-(1,3-benzoxazol-2-ylamino)-2-methylpropanoate
CID 67445136
3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
CID 106108341
ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate
CID 108773587
1,3-benzoxazol-2-ylmethyl 3,5-dimethylbenzoate
CID 9449734
diethyl 2-[(1,3-benzoxazol-2-ylamino)methylidene]propanedioate
CID 12529566
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
methyl 5-methyl-2-[4-(phenylmethoxycarbonylaminomethyl)phenyl]pyrazole-3-carboxylate
CID 142316753
4-(1,3-benzoxazol-2-ylamino)-2,2-dimethylbutanoic acid
CID 114285537
1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 90649665
N-[[4-(1,3-benzoxazol-2-yl)-2-methylmorpholin-2-yl]methyl]-2-methylpyridine-4-carboxamide
CID 138049229

Frequently Asked Questions

What is the IUPAC name of potassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane?
The IUPAC name of potassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane (CID 157241200) is potassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane.
What is the SMILES notation for potassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane?
The canonical SMILES for potassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane is CC(=O)O.COC(=O)C(=O)CC(C)=O.COC(=O)c1cc(C)nn1-c1nc2ccccc2o1.C[Si](C)(C)[O-].Cc1cc(C(=O)O)n(-c2nc3ccccc3o2)n1.NNc1nc2ccccc2o1.[K+].
What is the InChIKey of potassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane?
The InChIKey is OPRPHVUBQUFGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3.C12H9N3O3.C7H7N3O.C6H8O4.C3H9OSi.C2H4O2.K/c1-8-7-10(12(17)18-2)16(15-8)13-14-9-5-3-4-6-11(9)19-13;1-7-6-9(11(16)17)15(14-7)12-13-8-4-2-3-5-10(8)18-12;8-10-7-9-5-3-1-2-4-6(5)11-7;1-4(7)3-5(8)6(9)10-2;1-5(2,3)4;1-2(3)4;/h3-7H,1-2H3;2-6H,1H3,(H,16,17);1-4H,8H2,(H,9,10);3H2,1-2H3;1-3H3;1H3,(H,3,4);/q;;;;-1;;+1.
What are the key properties of potassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane?
potassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane has a molecular weight of 982.09 g/mol, XLogP of 2.23, 8 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;acetic acid;1,3-benzoxazol-2-ylhydrazine;2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylic acid;methyl 2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxylate;methyl 2,4-dioxopentanoate;trimethyl(oxido)silane is sourced from PubChem (CID 157241200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).