5-(1H-indazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

C13H12N4O2 — CID 97434243

IUPAC5-(1H-indazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(-c3nc([C@H]4CCOC4)no3)n[nH]c2c1
InChIInChI=1S/C13H12N4O2/c1-2-4-10-9(3-1)11(16-15-10)13-14-12(17-19-13)8-5-6-18-7-8/h1-4,8H,5-7H2,(H,15,16)/t8-/m0/s1
InChIKeyXVXKPGNEAJQWSW-QMMMGPOBSA-N
MW256.26 g/mol
LogP2.12
Rot. Bonds2

About 5-(1H-indazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole

5-(1H-indazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97434243) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(1H-indazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97434243
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name5-(1H-indazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(-c3nc([C@H]4CCOC4)no3)n[nH]c2c1
InChIInChI=1S/C13H12N4O2/c1-2-4-10-9(3-1)11(16-15-10)13-14-12(17-19-13)8-5-6-18-7-8/h1-4,8H,5-7H2,(H,15,16)/t8-/m0/s1
InChIKeyXVXKPGNEAJQWSW-QMMMGPOBSA-N
XLogP2.12
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.12
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-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97434243) is 5-(1H-indazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is c1ccc2c(-c3nc([C@H]4CCOC4)no3)n[nH]c2c1.
What is the InChIKey of 5-(1H-indazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is XVXKPGNEAJQWSW-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-2-4-10-9(3-1)11(16-15-10)13-14-12(17-19-13)8-5-6-18-7-8/h1-4,8H,5-7H2,(H,15,16)/t8-/m0/s1.
What are the key properties of 5-(1H-indazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(1H-indazol-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 256.26 g/mol, XLogP of 2.12, 2 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-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97434243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).