2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid

C124H131N24O49S2+ — CID 161127923

IUPAC2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid
SMILESCC(C)N=C=O.CCCN=C=O.CCN=C=O.CCOC(=O)CN=C=O.CN(C)c1ccc(N=C=O)cc1.CN=C=O.COc1ccc(N=C=O)cc1.COc1cccc(N=C=O)c1.Cc1cc(C(=O)O)c(C)o1.Cc1cc(C(=O)O)nn1C.Cc1cc(C(=O)O)no1.Cc1cnc(C(=O)O)cn1.O=C(O)C1CCCO1.O=C(O)c1cc[n+](O)cc1.O=C(O)c1cccnc1.O=C(O)c1ccco1.O=C(O)c1ccno1.O=C(O)c1ccoc1.O=C(O)c1ccsc1.O=C(O)c1cnccn1.O=C(O)c1csnn1.O=C1CCC(C(=O)O)N1.[C-]#[N+]c1cccc(N=C=O)c1
InChIInChI=1S/C9H10N2O.C8H4N2O.2C8H7NO2.C7H8O3.C6H8N2O2.C6H6N2O2.C6H5NO3.C6H5NO2.C5H4N2O2.C5H5NO3.2C5H7NO3.C5H4O3.C5H8O3.C5H4O3.C5H4O2S.C4H3NO3.2C4H7NO.C3H2N2O2S.C3H5NO.C2H3NO/c1-11(2)9-5-3-8(4-6-9)10-7-12;1-9-7-3-2-4-8(5-7)10-6-11;1-11-8-4-2-7(3-5-8)9-6-10;1-11-8-4-2-3-7(5-8)9-6-10;1-4-3-6(7(8)9)5(2)10-4;1-4-3-5(6(9)10)7-8(4)2;1-4-2-8-5(3-7-4)6(9)10;8-6(9)5-1-3-7(10)4-2-5;8-6(9)5-2-1-3-7-4-5;8-5(9)4-3-6-1-2-7-4;1-3-2-4(5(7)8)6-9-3;7-4-2-1-3(6-4)5(8)9;1-2-9-5(8)3-6-4-7;6-5(7)4-1-2-8-3-4;2*6-5(7)4-2-1-3-8-4;6-5(7)4-1-2-8-3-4;6-4(7)3-1-2-5-8-3;1-4(2)5-3-6;1-2-3-5-4-6;6-3(7)2-1-8-5-4-2;1-2-4-3-5;1-3-2-4/h3-6H,1-2H3;2-5H;2*2-5H,1H3;3H,1-2H3,(H,8,9);3H,1-2H3,(H,9,10);2-3H,1H3,(H,9,10);1-4H,(H-,8,9,10);1-4H,(H,8,9);1-3H,(H,8,9);2H,1H3,(H,7,8);3H,1-2H2,(H,6,7)(H,8,9);2-3H2,1H3;1-3H,(H,6,7);4H,1-3H2,(H,6,7);2*1-3H,(H,6,7);1-2H,(H,6,7);4H,1-2H3;2-3H2,1H3;1H,(H,6,7);2H2,1H3;1H3/p+1
InChIKeyNFFXLJLWYNAYNJ-UHFFFAOYSA-O
MW2805.66 g/mol
LogP16.55
Rot. Bonds28

About 2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid

2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid (PubChem CID 161127923) has the molecular formula C124H131N24O49S2+ and a molecular weight of 2805.66 g/mol. Its IUPAC name is 2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid
PubChem CID161127923
Molecular FormulaC124H131N24O49S2+
Molecular Weight2805.66 g/mol
Exact Mass2803.79
IUPAC Name2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid
SMILESCC(C)N=C=O.CCCN=C=O.CCN=C=O.CCOC(=O)CN=C=O.CN(C)c1ccc(N=C=O)cc1.CN=C=O.COc1ccc(N=C=O)cc1.COc1cccc(N=C=O)c1.Cc1cc(C(=O)O)c(C)o1.Cc1cc(C(=O)O)nn1C.Cc1cc(C(=O)O)no1.Cc1cnc(C(=O)O)cn1.O=C(O)C1CCCO1.O=C(O)c1cc[n+](O)cc1.O=C(O)c1cccnc1.O=C(O)c1ccco1.O=C(O)c1ccno1.O=C(O)c1ccoc1.O=C(O)c1ccsc1.O=C(O)c1cnccn1.O=C(O)c1csnn1.O=C1CCC(C(=O)O)N1.[C-]#[N+]c1cccc(N=C=O)c1
InChIInChI=1S/C9H10N2O.C8H4N2O.2C8H7NO2.C7H8O3.C6H8N2O2.C6H6N2O2.C6H5NO3.C6H5NO2.C5H4N2O2.C5H5NO3.2C5H7NO3.C5H4O3.C5H8O3.C5H4O3.C5H4O2S.C4H3NO3.2C4H7NO.C3H2N2O2S.C3H5NO.C2H3NO/c1-11(2)9-5-3-8(4-6-9)10-7-12;1-9-7-3-2-4-8(5-7)10-6-11;1-11-8-4-2-7(3-5-8)9-6-10;1-11-8-4-2-3-7(5-8)9-6-10;1-4-3-6(7(8)9)5(2)10-4;1-4-3-5(6(9)10)7-8(4)2;1-4-2-8-5(3-7-4)6(9)10;8-6(9)5-1-3-7(10)4-2-5;8-6(9)5-2-1-3-7-4-5;8-5(9)4-3-6-1-2-7-4;1-3-2-4(5(7)8)6-9-3;7-4-2-1-3(6-4)5(8)9;1-2-9-5(8)3-6-4-7;6-5(7)4-1-2-8-3-4;2*6-5(7)4-2-1-3-8-4;6-5(7)4-1-2-8-3-4;6-4(7)3-1-2-5-8-3;1-4(2)5-3-6;1-2-3-5-4-6;6-3(7)2-1-8-5-4-2;1-2-4-3-5;1-3-2-4/h3-6H,1-2H3;2-5H;2*2-5H,1H3;3H,1-2H3,(H,8,9);3H,1-2H3,(H,9,10);2-3H,1H3,(H,9,10);1-4H,(H-,8,9,10);1-4H,(H,8,9);1-3H,(H,8,9);2H,1H3,(H,7,8);3H,1-2H2,(H,6,7)(H,8,9);2-3H2,1H3;1-3H,(H,6,7);4H,1-3H2,(H,6,7);2*1-3H,(H,6,7);1-2H,(H,6,7);4H,1-2H3;2-3H2,1H3;1H,(H,6,7);2H2,1H3;1H3/p+1
InChIKeyNFFXLJLWYNAYNJ-UHFFFAOYSA-O
XLogP16.55
TPSA1101.40 Ų
H-Bond Donors16
H-Bond Acceptors58
Rotatable Bonds28
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002805.66
LogP ≤ 516.55
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-Dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;furan-2-carboxylic acid;furan-3-carboxylic acid;5-methyl-1,2-oxazole-3-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid
CID 161190959
2,5-Dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid
CID 161920909

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid?
The IUPAC name of 2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid (CID 161127923) is 2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid?
The canonical SMILES for 2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid is CC(C)N=C=O.CCCN=C=O.CCN=C=O.CCOC(=O)CN=C=O.CN(C)c1ccc(N=C=O)cc1.CN=C=O.COc1ccc(N=C=O)cc1.COc1cccc(N=C=O)c1.Cc1cc(C(=O)O)c(C)o1.Cc1cc(C(=O)O)nn1C.Cc1cc(C(=O)O)no1.Cc1cnc(C(=O)O)cn1.O=C(O)C1CCCO1.O=C(O)c1cc[n+](O)cc1.O=C(O)c1cccnc1.O=C(O)c1ccco1.O=C(O)c1ccno1.O=C(O)c1ccoc1.O=C(O)c1ccsc1.O=C(O)c1cnccn1.O=C(O)c1csnn1.O=C1CCC(C(=O)O)N1.[C-]#[N+]c1cccc(N=C=O)c1.
What is the InChIKey of 2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid?
The InChIKey is NFFXLJLWYNAYNJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10N2O.C8H4N2O.2C8H7NO2.C7H8O3.C6H8N2O2.C6H6N2O2.C6H5NO3.C6H5NO2.C5H4N2O2.C5H5NO3.2C5H7NO3.C5H4O3.C5H8O3.C5H4O3.C5H4O2S.C4H3NO3.2C4H7NO.C3H2N2O2S.C3H5NO.C2H3NO/c1-11(2)9-5-3-8(4-6-9)10-7-12;1-9-7-3-2-4-8(5-7)10-6-11;1-11-8-4-2-7(3-5-8)9-6-10;1-11-8-4-2-3-7(5-8)9-6-10;1-4-3-6(7(8)9)5(2)10-4;1-4-3-5(6(9)10)7-8(4)2;1-4-2-8-5(3-7-4)6(9)10;8-6(9)5-1-3-7(10)4-2-5;8-6(9)5-2-1-3-7-4-5;8-5(9)4-3-6-1-2-7-4;1-3-2-4(5(7)8)6-9-3;7-4-2-1-3(6-4)5(8)9;1-2-9-5(8)3-6-4-7;6-5(7)4-1-2-8-3-4;2*6-5(7)4-2-1-3-8-4;6-5(7)4-1-2-8-3-4;6-4(7)3-1-2-5-8-3;1-4(2)5-3-6;1-2-3-5-4-6;6-3(7)2-1-8-5-4-2;1-2-4-3-5;1-3-2-4/h3-6H,1-2H3;2-5H;2*2-5H,1H3;3H,1-2H3,(H,8,9);3H,1-2H3,(H,9,10);2-3H,1H3,(H,9,10);1-4H,(H-,8,9,10);1-4H,(H,8,9);1-3H,(H,8,9);2H,1H3,(H,7,8);3H,1-2H2,(H,6,7)(H,8,9);2-3H2,1H3;1-3H,(H,6,7);4H,1-3H2,(H,6,7);2*1-3H,(H,6,7);1-2H,(H,6,7);4H,1-2H3;2-3H2,1H3;1H,(H,6,7);2H2,1H3;1H3/p+1.
What are the key properties of 2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid?
2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid has a molecular weight of 2805.66 g/mol, XLogP of 16.55, 28 rotatable bonds, 16 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran-3-carboxylic acid;1,5-dimethylpyrazole-3-carboxylic acid;ethyl 2-isocyanatoacetate;furan-2-carboxylic acid;furan-3-carboxylic acid;1-hydroxypyridin-1-ium-4-carboxylic acid;4-isocyanato-N,N-dimethylaniline;isocyanatoethane;1-isocyanato-3-isocyanobenzene;1-isocyanato-3-methoxybenzene;1-isocyanato-4-methoxybenzene;1-isocyanatopropane;2-isocyanatopropane;methylimino(oxo)methane;5-methyl-1,2-oxazole-3-carboxylic acid;5-methylpyrazine-2-carboxylic acid;1,2-oxazole-5-carboxylic acid;oxolane-2-carboxylic acid;5-oxopyrrolidine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-3-carboxylic acid;thiadiazole-4-carboxylic acid;thiophene-3-carboxylic acid is sourced from PubChem (CID 161127923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).