[2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid

C21H22N6O3 — CID 67154274

IUPAC[2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)c1noc(-c2c3ccccc3nn2Cc2ccccn2)n1
InChIInChI=1S/C21H22N6O3/c1-21(2,3)17(23-20(28)29)18-24-19(30-26-18)16-14-9-4-5-10-15(14)25-27(16)12-13-8-6-7-11-22-13/h4-11,17,23H,12H2,1-3H3,(H,28,29)
InChIKeyZFNHDNQNLLUEHQ-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.88
Rot. Bonds5

About [2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid

[2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid (PubChem CID 67154274) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is [2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid.

Molecular Properties

Compound Name[2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid
PubChem CID67154274
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name[2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)c1noc(-c2c3ccccc3nn2Cc2ccccn2)n1
InChIInChI=1S/C21H22N6O3/c1-21(2,3)17(23-20(28)29)18-24-19(30-26-18)16-14-9-4-5-10-15(14)25-27(16)12-13-8-6-7-11-22-13/h4-11,17,23H,12H2,1-3H3,(H,28,29)
InChIKeyZFNHDNQNLLUEHQ-UHFFFAOYSA-N
XLogP3.88
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid?
The IUPAC name of [2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid (CID 67154274) is [2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid.
What is the SMILES notation for [2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid?
The canonical SMILES for [2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid is CC(C)(C)C(NC(=O)O)c1noc(-c2c3ccccc3nn2Cc2ccccn2)n1.
What is the InChIKey of [2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid?
The InChIKey is ZFNHDNQNLLUEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-21(2,3)17(23-20(28)29)18-24-19(30-26-18)16-14-9-4-5-10-15(14)25-27(16)12-13-8-6-7-11-22-13/h4-11,17,23H,12H2,1-3H3,(H,28,29).
What are the key properties of [2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid?
[2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid has a molecular weight of 406.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]propyl]carbamic acid is sourced from PubChem (CID 67154274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).