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

C14H16N4O2 — CID 71858173

IUPAC5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
SMILESCOC(C)(C)c1noc(Cc2[nH]nc3ccccc23)n1
InChIInChI=1S/C14H16N4O2/c1-14(2,19-3)13-15-12(20-18-13)8-11-9-6-4-5-7-10(9)16-17-11/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyHXXKZPQZWZPFQE-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.42
Rot. Bonds4

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

5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole (PubChem CID 71858173) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
PubChem CID71858173
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
SMILESCOC(C)(C)c1noc(Cc2[nH]nc3ccccc23)n1
InChIInChI=1S/C14H16N4O2/c1-14(2,19-3)13-15-12(20-18-13)8-11-9-6-4-5-7-10(9)16-17-11/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyHXXKZPQZWZPFQE-UHFFFAOYSA-N
XLogP2.42
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole (CID 71858173) is 5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole is COC(C)(C)c1noc(Cc2[nH]nc3ccccc23)n1.
What is the InChIKey of 5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is HXXKZPQZWZPFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-14(2,19-3)13-15-12(20-18-13)8-11-9-6-4-5-7-10(9)16-17-11/h4-7H,8H2,1-3H3,(H,16,17).
What are the key properties of 5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole?
5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 272.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-indazol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71858173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).