5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid

C11H6ClN3O3 — CID 117413924

IUPAC5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3n[nH]c(Cl)c3c2)on1
InChIInChI=1S/C11H6ClN3O3/c12-10-6-3-5(1-2-7(6)13-14-10)9-4-8(11(16)17)15-18-9/h1-4H,(H,13,14)(H,16,17)
InChIKeyPGUPDEZMJZHDLW-UHFFFAOYSA-N
MW263.64 g/mol
LogP2.57
Rot. Bonds2

About 5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid

5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117413924) has the molecular formula C11H6ClN3O3 and a molecular weight of 263.64 g/mol. Its IUPAC name is 5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117413924
Molecular FormulaC11H6ClN3O3
Molecular Weight263.64 g/mol
Exact Mass263.01
IUPAC Name5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3n[nH]c(Cl)c3c2)on1
InChIInChI=1S/C11H6ClN3O3/c12-10-6-3-5(1-2-7(6)13-14-10)9-4-8(11(16)17)15-18-9/h1-4H,(H,13,14)(H,16,17)
InChIKeyPGUPDEZMJZHDLW-UHFFFAOYSA-N
XLogP2.57
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.64
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117413920
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 82387136
5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid
CID 115003560
5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid
CID 155392679
5-(3-chloro-2H-indazol-5-yl)-1H-pyrazol-3-amine
CID 117339568
5-(3,4-dihydro-1H-isochromen-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117364332
5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 131955030
5-(1-benzofuran-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117329817
5-(1,2-benzoxazol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117331927
5-(4-chloro-1-methylindol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117443276
5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111153

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid (CID 117413924) is 5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc3n[nH]c(Cl)c3c2)on1.
What is the InChIKey of 5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is PGUPDEZMJZHDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O3/c12-10-6-3-5(1-2-7(6)13-14-10)9-4-8(11(16)17)15-18-9/h1-4H,(H,13,14)(H,16,17).
What are the key properties of 5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid?
5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 263.64 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117413924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).