2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine

C81H106N12O17S4 — CID 161084298

IUPAC2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine
SMILESCCCOCc1cccc(C(=O)O)c1.CCCOCc1cccnc1.CCCOc1cccc(C(=O)NO)c1.CCCOc1cccnc1.CCc1nc(C)co1.CCc1nc(O)cs1.CCc1scnc1O.Cc1cc(C(=O)O)ccn1.Cc1coc(C)n1.Cc1nc(O)cs1.Cc1ncccc1C(N)=O.Cc1scnc1O
InChIInChI=1S/C11H14O3.C10H13NO3.C9H13NO.C8H11NO.C7H8N2O.C7H7NO2.C6H9NO.2C5H7NOS.C5H7NO.2C4H5NOS/c1-2-6-14-8-9-4-3-5-10(7-9)11(12)13;1-2-6-14-9-5-3-4-8(7-9)10(12)11-13;1-2-6-11-8-9-4-3-5-10-7-9;1-2-6-10-8-4-3-5-9-7-8;1-5-6(7(8)10)3-2-4-9-5;1-5-4-6(7(9)10)2-3-8-5;1-3-6-7-5(2)4-8-6;1-2-5-6-4(7)3-8-5;1-2-4-5(7)6-3-8-4;1-4-3-7-5(2)6-4;1-3-4(6)5-2-7-3;1-3-5-4(6)2-7-3/h3-5,7H,2,6,8H2,1H3,(H,12,13);3-5,7,13H,2,6H2,1H3,(H,11,12);3-5,7H,2,6,8H2,1H3;3-5,7H,2,6H2,1H3;2-4H,1H3,(H2,8,10);2-4H,1H3,(H,9,10);4H,3H2,1-2H3;2*3,7H,2H2,1H3;3H,1-2H3;2*2,6H,1H3
InChIKeyUGHOMPORAVPCDX-UHFFFAOYSA-N
MW1648.07 g/mol
LogP17.33
Rot. Bonds21

About 2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine

2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine (PubChem CID 161084298) has the molecular formula C81H106N12O17S4 and a molecular weight of 1648.07 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine.

Molecular Properties

Compound Name2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine
PubChem CID161084298
Molecular FormulaC81H106N12O17S4
Molecular Weight1648.07 g/mol
Exact Mass1646.67
IUPAC Name2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine
SMILESCCCOCc1cccc(C(=O)O)c1.CCCOCc1cccnc1.CCCOc1cccc(C(=O)NO)c1.CCCOc1cccnc1.CCc1nc(C)co1.CCc1nc(O)cs1.CCc1scnc1O.Cc1cc(C(=O)O)ccn1.Cc1coc(C)n1.Cc1nc(O)cs1.Cc1ncccc1C(N)=O.Cc1scnc1O
InChIInChI=1S/C11H14O3.C10H13NO3.C9H13NO.C8H11NO.C7H8N2O.C7H7NO2.C6H9NO.2C5H7NOS.C5H7NO.2C4H5NOS/c1-2-6-14-8-9-4-3-5-10(7-9)11(12)13;1-2-6-14-9-5-3-4-8(7-9)10(12)11-13;1-2-6-11-8-9-4-3-5-10-7-9;1-2-6-10-8-4-3-5-9-7-8;1-5-6(7(8)10)3-2-4-9-5;1-5-4-6(7(9)10)2-3-8-5;1-3-6-7-5(2)4-8-6;1-2-5-6-4(7)3-8-5;1-2-4-5(7)6-3-8-4;1-4-3-7-5(2)6-4;1-3-4(6)5-2-7-3;1-3-5-4(6)2-7-3/h3-5,7H,2,6,8H2,1H3,(H,12,13);3-5,7,13H,2,6H2,1H3,(H,11,12);3-5,7H,2,6,8H2,1H3;3-5,7H,2,6H2,1H3;2-4H,1H3,(H2,8,10);2-4H,1H3,(H,9,10);4H,3H2,1-2H3;2*3,7H,2H2,1H3;3H,1-2H3;2*2,6H,1H3
InChIKeyUGHOMPORAVPCDX-UHFFFAOYSA-N
XLogP17.33
TPSA440.04 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001648.07
LogP ≤ 517.33
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine?
The IUPAC name of 2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine (CID 161084298) is 2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine.
What is the SMILES notation for 2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine?
The canonical SMILES for 2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine is CCCOCc1cccc(C(=O)O)c1.CCCOCc1cccnc1.CCCOc1cccc(C(=O)NO)c1.CCCOc1cccnc1.CCc1nc(C)co1.CCc1nc(O)cs1.CCc1scnc1O.Cc1cc(C(=O)O)ccn1.Cc1coc(C)n1.Cc1nc(O)cs1.Cc1ncccc1C(N)=O.Cc1scnc1O.
What is the InChIKey of 2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine?
The InChIKey is UGHOMPORAVPCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.C10H13NO3.C9H13NO.C8H11NO.C7H8N2O.C7H7NO2.C6H9NO.2C5H7NOS.C5H7NO.2C4H5NOS/c1-2-6-14-8-9-4-3-5-10(7-9)11(12)13;1-2-6-14-9-5-3-4-8(7-9)10(12)11-13;1-2-6-11-8-9-4-3-5-10-7-9;1-2-6-10-8-4-3-5-9-7-8;1-5-6(7(8)10)3-2-4-9-5;1-5-4-6(7(9)10)2-3-8-5;1-3-6-7-5(2)4-8-6;1-2-5-6-4(7)3-8-5;1-2-4-5(7)6-3-8-4;1-4-3-7-5(2)6-4;1-3-4(6)5-2-7-3;1-3-5-4(6)2-7-3/h3-5,7H,2,6,8H2,1H3,(H,12,13);3-5,7,13H,2,6H2,1H3,(H,11,12);3-5,7H,2,6,8H2,1H3;3-5,7H,2,6H2,1H3;2-4H,1H3,(H2,8,10);2-4H,1H3,(H,9,10);4H,3H2,1-2H3;2*3,7H,2H2,1H3;3H,1-2H3;2*2,6H,1H3.
What are the key properties of 2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine?
2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine has a molecular weight of 1648.07 g/mol, XLogP of 17.33, 21 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-oxazole;2-ethyl-4-methyl-1,3-oxazole;2-ethyl-1,3-thiazol-4-ol;5-ethyl-1,3-thiazol-4-ol;N-hydroxy-3-propoxybenzamide;2-methylpyridine-3-carboxamide;2-methylpyridine-4-carboxylic acid;2-methyl-1,3-thiazol-4-ol;5-methyl-1,3-thiazol-4-ol;3-(propoxymethyl)benzoic acid;3-(propoxymethyl)pyridine;3-propoxypyridine is sourced from PubChem (CID 161084298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).