1-(oxan-3-yl)-6-propan-2-ylindazole

C15H20N2O — CID 153308080

IUPAC1-(oxan-3-yl)-6-propan-2-ylindazole
SMILESCC(C)c1ccc2cnn(C3CCCOC3)c2c1
InChIInChI=1S/C15H20N2O/c1-11(2)12-5-6-13-9-16-17(15(13)8-12)14-4-3-7-18-10-14/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3
InChIKeyVBVLIMLTOPAAOL-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.51
Rot. Bonds2

About 1-(oxan-3-yl)-6-propan-2-ylindazole

1-(oxan-3-yl)-6-propan-2-ylindazole (PubChem CID 153308080) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(oxan-3-yl)-6-propan-2-ylindazole.

Molecular Properties

Compound Name1-(oxan-3-yl)-6-propan-2-ylindazole
PubChem CID153308080
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(oxan-3-yl)-6-propan-2-ylindazole
SMILESCC(C)c1ccc2cnn(C3CCCOC3)c2c1
InChIInChI=1S/C15H20N2O/c1-11(2)12-5-6-13-9-16-17(15(13)8-12)14-4-3-7-18-10-14/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3
InChIKeyVBVLIMLTOPAAOL-UHFFFAOYSA-N
XLogP3.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-6-propan-2-ylindazole?
The IUPAC name of 1-(oxan-3-yl)-6-propan-2-ylindazole (CID 153308080) is 1-(oxan-3-yl)-6-propan-2-ylindazole.
What is the SMILES notation for 1-(oxan-3-yl)-6-propan-2-ylindazole?
The canonical SMILES for 1-(oxan-3-yl)-6-propan-2-ylindazole is CC(C)c1ccc2cnn(C3CCCOC3)c2c1.
What is the InChIKey of 1-(oxan-3-yl)-6-propan-2-ylindazole?
The InChIKey is VBVLIMLTOPAAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)12-5-6-13-9-16-17(15(13)8-12)14-4-3-7-18-10-14/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3.
What are the key properties of 1-(oxan-3-yl)-6-propan-2-ylindazole?
1-(oxan-3-yl)-6-propan-2-ylindazole has a molecular weight of 244.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-6-propan-2-ylindazole is sourced from PubChem (CID 153308080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).