N-ethyl-N'-(1H-indazol-6-yl)oxamide

C11H12N4O2 — CID 108521463

IUPACN-ethyl-N'-(1H-indazol-6-yl)oxamide
SMILESCCNC(=O)C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C11H12N4O2/c1-2-12-10(16)11(17)14-8-4-3-7-6-13-15-9(7)5-8/h3-6H,2H2,1H3,(H,12,16)(H,13,15)(H,14,17)
InChIKeyOHEQNPPCFNXNOY-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.64
Rot. Bonds2

About N-ethyl-N'-(1H-indazol-6-yl)oxamide

N-ethyl-N'-(1H-indazol-6-yl)oxamide (PubChem CID 108521463) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-ethyl-N'-(1H-indazol-6-yl)oxamide.

Molecular Properties

Compound NameN-ethyl-N'-(1H-indazol-6-yl)oxamide
PubChem CID108521463
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-ethyl-N'-(1H-indazol-6-yl)oxamide
SMILESCCNC(=O)C(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C11H12N4O2/c1-2-12-10(16)11(17)14-8-4-3-7-6-13-15-9(7)5-8/h3-6H,2H2,1H3,(H,12,16)(H,13,15)(H,14,17)
InChIKeyOHEQNPPCFNXNOY-UHFFFAOYSA-N
XLogP0.64
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide
CID 108504895
N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108530092
N'-(1H-indazol-6-yl)-N-(3-propan-2-yloxypropyl)oxamide
CID 108525259
N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide
CID 108524558
N-(1H-indazol-6-yl)-N'-pyrimidin-2-yloxamide
CID 108520740
N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide
CID 108519482
N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108529059
N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108528519
N'-[4-(diethylamino)-2-methylphenyl]-N-(1H-indazol-6-yl)oxamide
CID 108530134
1-(cyanomethyl)-3-(1H-indazol-6-yl)urea
CID 108864826
N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108526719
N-(1H-indazol-6-yl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 108519338

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(1H-indazol-6-yl)oxamide?
The IUPAC name of N-ethyl-N'-(1H-indazol-6-yl)oxamide (CID 108521463) is N-ethyl-N'-(1H-indazol-6-yl)oxamide.
What is the SMILES notation for N-ethyl-N'-(1H-indazol-6-yl)oxamide?
The canonical SMILES for N-ethyl-N'-(1H-indazol-6-yl)oxamide is CCNC(=O)C(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N-ethyl-N'-(1H-indazol-6-yl)oxamide?
The InChIKey is OHEQNPPCFNXNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-12-10(16)11(17)14-8-4-3-7-6-13-15-9(7)5-8/h3-6H,2H2,1H3,(H,12,16)(H,13,15)(H,14,17).
What are the key properties of N-ethyl-N'-(1H-indazol-6-yl)oxamide?
N-ethyl-N'-(1H-indazol-6-yl)oxamide has a molecular weight of 232.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(1H-indazol-6-yl)oxamide is sourced from PubChem (CID 108521463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).