5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole

C13H14N4O2 — CID 71973497

IUPAC5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
SMILESCOC(C)(C)c1noc(-c2n[nH]c3ccccc23)n1
InChIInChI=1S/C13H14N4O2/c1-13(2,18-3)12-14-11(19-17-12)10-8-6-4-5-7-9(8)15-16-10/h4-7H,1-3H3,(H,15,16)
InChIKeySJFTZXOAACVVGQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.49
Rot. Bonds3

About 5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole

5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole (PubChem CID 71973497) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
PubChem CID71973497
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
SMILESCOC(C)(C)c1noc(-c2n[nH]c3ccccc23)n1
InChIInChI=1S/C13H14N4O2/c1-13(2,18-3)12-14-11(19-17-12)10-8-6-4-5-7-9(8)15-16-10/h4-7H,1-3H3,(H,15,16)
InChIKeySJFTZXOAACVVGQ-UHFFFAOYSA-N
XLogP2.49
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole (CID 71973497) is 5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole is COC(C)(C)c1noc(-c2n[nH]c3ccccc23)n1.
What is the InChIKey of 5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is SJFTZXOAACVVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-13(2,18-3)12-14-11(19-17-12)10-8-6-4-5-7-9(8)15-16-10/h4-7H,1-3H3,(H,15,16).
What are the key properties of 5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 258.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-3-yl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71973497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).