ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid

C24H18N6O6 — CID 158537593

IUPACethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCCOC(=O)c1cc(-c2ccc3[nH]ncc3c2)on1.O=C(O)c1cc(-c2ccc3[nH]ncc3c2)on1
InChIInChI=1S/C13H11N3O3.C11H7N3O3/c1-2-18-13(17)11-6-12(19-16-11)8-3-4-10-9(5-8)7-14-15-10;15-11(16)9-4-10(17-14-9)6-1-2-8-7(3-6)5-12-13-8/h3-7H,2H2,1H3,(H,14,15);1-5H,(H,12,13)(H,15,16)
InChIKeyHODCCHDZACJVGQ-UHFFFAOYSA-N
MW486.44 g/mol
LogP4.31
Rot. Bonds5

About ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid

ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 158537593) has the molecular formula C24H18N6O6 and a molecular weight of 486.44 g/mol. Its IUPAC name is ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Nameethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID158537593
Molecular FormulaC24H18N6O6
Molecular Weight486.44 g/mol
Exact Mass486.13
IUPAC Nameethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESCCOC(=O)c1cc(-c2ccc3[nH]ncc3c2)on1.O=C(O)c1cc(-c2ccc3[nH]ncc3c2)on1
InChIInChI=1S/C13H11N3O3.C11H7N3O3/c1-2-18-13(17)11-6-12(19-16-11)8-3-4-10-9(5-8)7-14-15-10;15-11(16)9-4-10(17-14-9)6-1-2-8-7(3-6)5-12-13-8/h3-7H,2H2,1H3,(H,14,15);1-5H,(H,12,13)(H,15,16)
InChIKeyHODCCHDZACJVGQ-UHFFFAOYSA-N
XLogP4.31
TPSA173.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.44
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-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

ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate
CID 168876067
N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide
CID 68738395
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117357229
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 68990785
5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 82387136
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844
ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate
CID 44818827
N-[2-(3-chlorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide
CID 68723285
5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117331927
5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117359203

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid (CID 158537593) is ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid is CCOC(=O)c1cc(-c2ccc3[nH]ncc3c2)on1.O=C(O)c1cc(-c2ccc3[nH]ncc3c2)on1.
What is the InChIKey of ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is HODCCHDZACJVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3.C11H7N3O3/c1-2-18-13(17)11-6-12(19-16-11)8-3-4-10-9(5-8)7-14-15-10;15-11(16)9-4-10(17-14-9)6-1-2-8-7(3-6)5-12-13-8/h3-7H,2H2,1H3,(H,14,15);1-5H,(H,12,13)(H,15,16).
What are the key properties of ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid?
ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 486.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 158537593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).