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

C10H8N4O — CID 129352529

IUPAC5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2cccc3[nH]ncc23)n1
InChIInChI=1S/C10H8N4O/c1-6-12-10(15-14-6)7-3-2-4-9-8(7)5-11-13-9/h2-5H,1H3,(H,11,13)
InChIKeyMDZZDIBHPNGTPL-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.92
Rot. Bonds1

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

5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 129352529) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID129352529
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2cccc3[nH]ncc23)n1
InChIInChI=1S/C10H8N4O/c1-6-12-10(15-14-6)7-3-2-4-9-8(7)5-11-13-9/h2-5H,1H3,(H,11,13)
InChIKeyMDZZDIBHPNGTPL-UHFFFAOYSA-N
XLogP1.92
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole (CID 129352529) is 5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2cccc3[nH]ncc23)n1.
What is the InChIKey of 5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is MDZZDIBHPNGTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-6-12-10(15-14-6)7-3-2-4-9-8(7)5-11-13-9/h2-5H,1H3,(H,11,13).
What are the key properties of 5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole?
5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 200.20 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 129352529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).