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

C11H6ClN3O3 — CID 117413920

IUPAC3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3n[nH]c(Cl)c3c2)no1
InChIInChI=1S/C11H6ClN3O3/c12-10-6-3-5(1-2-7(6)13-14-10)8-4-9(11(16)17)18-15-8/h1-4H,(H,13,14)(H,16,17)
InChIKeyMXXODOBXALAVFN-UHFFFAOYSA-N
MW263.64 g/mol
LogP2.57
Rot. Bonds2

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

3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117413920) has the molecular formula C11H6ClN3O3 and a molecular weight of 263.64 g/mol. Its IUPAC name is 3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID117413920
Molecular FormulaC11H6ClN3O3
Molecular Weight263.64 g/mol
Exact Mass263.01
IUPAC Name3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3n[nH]c(Cl)c3c2)no1
InChIInChI=1S/C11H6ClN3O3/c12-10-6-3-5(1-2-7(6)13-14-10)8-4-9(11(16)17)18-15-8/h1-4H,(H,13,14)(H,16,17)
InChIKeyMXXODOBXALAVFN-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

5-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117413924
3-(3-methyl-1,2-benzoxazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117361899
3-(3-bromo-1H-indol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117492038
3-(3-methyl-1H-indol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 82373607
3-(3,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 29078560
3-(3-methyl-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid
CID 82373604
3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117364843
3-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117465769
3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117426078
3-(3-chloro-4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117493548
3-[3-chloro-4-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117422508
3-(2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117370133

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-carboxylic acid (CID 117413920) is 3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc3n[nH]c(Cl)c3c2)no1.
What is the InChIKey of 3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is MXXODOBXALAVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O3/c12-10-6-3-5(1-2-7(6)13-14-10)8-4-9(11(16)17)18-15-8/h1-4H,(H,13,14)(H,16,17).
What are the key properties of 3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-carboxylic acid?
3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-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 3-(3-chloro-2H-indazol-5-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117413920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).