2-(1-benzylindazol-3-yl)oxyacetic acid

C16H14N2O3 — CID 2313

💊View drug profile → bendazac
IUPAC2-(1-benzylindazol-3-yl)oxyacetic acid
SMILESO=C(O)COc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
InChIKeyBYFMCKSPFYVMOU-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.55
Rot. Bonds5

About 2-(1-benzylindazol-3-yl)oxyacetic acid

2-(1-benzylindazol-3-yl)oxyacetic acid (PubChem CID 2313) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(1-benzylindazol-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-benzylindazol-3-yl)oxyacetic acid
PubChem CID2313
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(1-benzylindazol-3-yl)oxyacetic acid
SMILESO=C(O)COc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
InChIKeyBYFMCKSPFYVMOU-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzylindazol-3-yl)oxyacetic 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

Benzydamine
CID 12555
Benzydamine Hydrochloride
CID 65464
Bindarit
CID 71354
L-Lysine, 2-((1-(phenylmethyl)-1H-indazol-3-yl)oxy)acetate (1:1)
CID 13041095
Acetic acid, 2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-, sodium salt (1:1)
CID 23662369
N,N-dimethyl-3-(1-phenylindazol-3-yl)oxypropan-1-amine
CID 200264
Methyl 2-[3-(3-ethoxyphenyl)indazol-1-yl]acetate
CID 73505630
Methyl 2-[3-[3-(2-methylpropoxy)phenyl]indazol-1-yl]acetate
CID 73506048
Methyl 2-[3-[3-(3-methylbutoxy)phenyl]indazol-1-yl]acetate
CID 73506261
3,4-dihydro-2H-[1,3]oxazino[3,2-b]indazole
CID 13664293
1-(4-Methoxybenzyl)-3-((4-methoxybenzyl)oxy)-1H-indazole
CID 51357040
3-(Cyclohexylmethoxy)-1-(cyclohexylmethyl)indazole
CID 76321622

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindazol-3-yl)oxyacetic acid?
The IUPAC name of 2-(1-benzylindazol-3-yl)oxyacetic acid (CID 2313) is 2-(1-benzylindazol-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-benzylindazol-3-yl)oxyacetic acid?
The canonical SMILES for 2-(1-benzylindazol-3-yl)oxyacetic acid is O=C(O)COc1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(1-benzylindazol-3-yl)oxyacetic acid?
The InChIKey is BYFMCKSPFYVMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20).
What are the key properties of 2-(1-benzylindazol-3-yl)oxyacetic acid?
2-(1-benzylindazol-3-yl)oxyacetic acid has a molecular weight of 282.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindazol-3-yl)oxyacetic acid is sourced from PubChem (CID 2313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).