5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole

C16H19ClN2O3 — CID 155347084

IUPAC5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole
SMILESClc1cc2cnn(C3CCCCO3)c2cc1OC1CCOC1
InChIInChI=1S/C16H19ClN2O3/c17-13-7-11-9-18-19(16-3-1-2-5-21-16)14(11)8-15(13)22-12-4-6-20-10-12/h7-9,12,16H,1-6,10H2
InChIKeyBJRKUACREKMSAH-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.56
Rot. Bonds3

About 5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole

5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole (PubChem CID 155347084) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole.

Molecular Properties

Compound Name5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole
PubChem CID155347084
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole
SMILESClc1cc2cnn(C3CCCCO3)c2cc1OC1CCOC1
InChIInChI=1S/C16H19ClN2O3/c17-13-7-11-9-18-19(16-3-1-2-5-21-16)14(11)8-15(13)22-12-4-6-20-10-12/h7-9,12,16H,1-6,10H2
InChIKeyBJRKUACREKMSAH-UHFFFAOYSA-N
XLogP3.56
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole?
The IUPAC name of 5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole (CID 155347084) is 5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole.
What is the SMILES notation for 5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole?
The canonical SMILES for 5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole is Clc1cc2cnn(C3CCCCO3)c2cc1OC1CCOC1.
What is the InChIKey of 5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole?
The InChIKey is BJRKUACREKMSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c17-13-7-11-9-18-19(16-3-1-2-5-21-16)14(11)8-15(13)22-12-4-6-20-10-12/h7-9,12,16H,1-6,10H2.
What are the key properties of 5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole?
5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole has a molecular weight of 322.79 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(oxan-2-yl)-6-(oxolan-3-yloxy)indazole is sourced from PubChem (CID 155347084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).