3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole

C12H11N3O2 — CID 171644749

IUPAC3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole
SMILESCc1cc2cn[nH]c2cc1OCc1ccon1
InChIInChI=1S/C12H11N3O2/c1-8-4-9-6-13-14-11(9)5-12(8)16-7-10-2-3-17-15-10/h2-6H,7H2,1H3,(H,13,14)
InChIKeyUEPKIQXLXJUXIC-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.44
Rot. Bonds3

About 3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole

3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole (PubChem CID 171644749) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole
PubChem CID171644749
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole
SMILESCc1cc2cn[nH]c2cc1OCc1ccon1
InChIInChI=1S/C12H11N3O2/c1-8-4-9-6-13-14-11(9)5-12(8)16-7-10-2-3-17-15-10/h2-6H,7H2,1H3,(H,13,14)
InChIKeyUEPKIQXLXJUXIC-UHFFFAOYSA-N
XLogP2.44
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole?
The IUPAC name of 3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole (CID 171644749) is 3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole is Cc1cc2cn[nH]c2cc1OCc1ccon1.
What is the InChIKey of 3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole?
The InChIKey is UEPKIQXLXJUXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-8-4-9-6-13-14-11(9)5-12(8)16-7-10-2-3-17-15-10/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of 3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole?
3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole has a molecular weight of 229.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-indazol-6-yl)oxymethyl]-1,2-oxazole is sourced from PubChem (CID 171644749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).