1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole

C20H28N2O4 — CID 69434566

IUPAC1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole
SMILESCCCOc1c(OC2CCCCO2)ccc2c1cnn2C1CCCCO1
InChIInChI=1S/C20H28N2O4/c1-2-11-25-20-15-14-21-22(18-7-3-5-12-23-18)16(15)9-10-17(20)26-19-8-4-6-13-24-19/h9-10,14,18-19H,2-8,11-13H2,1H3
InChIKeyQGJYXJOOHJOKLF-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.43
Rot. Bonds6

About 1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole

1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole (PubChem CID 69434566) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole.

Molecular Properties

Compound Name1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole
PubChem CID69434566
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole
SMILESCCCOc1c(OC2CCCCO2)ccc2c1cnn2C1CCCCO1
InChIInChI=1S/C20H28N2O4/c1-2-11-25-20-15-14-21-22(18-7-3-5-12-23-18)16(15)9-10-17(20)26-19-8-4-6-13-24-19/h9-10,14,18-19H,2-8,11-13H2,1H3
InChIKeyQGJYXJOOHJOKLF-UHFFFAOYSA-N
XLogP4.43
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole?
The IUPAC name of 1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole (CID 69434566) is 1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole.
What is the SMILES notation for 1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole?
The canonical SMILES for 1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole is CCCOc1c(OC2CCCCO2)ccc2c1cnn2C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole?
The InChIKey is QGJYXJOOHJOKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-2-11-25-20-15-14-21-22(18-7-3-5-12-23-18)16(15)9-10-17(20)26-19-8-4-6-13-24-19/h9-10,14,18-19H,2-8,11-13H2,1H3.
What are the key properties of 1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole?
1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole has a molecular weight of 360.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole is sourced from PubChem (CID 69434566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).