1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole

C16H20N2O2 — CID 178036760

IUPAC1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole
SMILESc1cc2c(cnn2C2CCCCO2)cc1CC1COC1
InChIInChI=1S/C16H20N2O2/c1-2-6-20-16(3-1)18-15-5-4-12(7-13-10-19-11-13)8-14(15)9-17-18/h4-5,8-9,13,16H,1-3,6-7,10-11H2
InChIKeyQOYYSEPAFCVQIO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.92
Rot. Bonds3

About 1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole

1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole (PubChem CID 178036760) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole.

Molecular Properties

Compound Name1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole
PubChem CID178036760
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole
SMILESc1cc2c(cnn2C2CCCCO2)cc1CC1COC1
InChIInChI=1S/C16H20N2O2/c1-2-6-20-16(3-1)18-15-5-4-12(7-13-10-19-11-13)8-14(15)9-17-18/h4-5,8-9,13,16H,1-3,6-7,10-11H2
InChIKeyQOYYSEPAFCVQIO-UHFFFAOYSA-N
XLogP2.92
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-1-(oxan-2-yl)indazole
CID 156734105
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
CID 170560839
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
[1-(oxan-2-yl)indazol-6-yl]methanamine
CID 18616200
1-[(2S)-oxan-2-yl]indazole
CID 124562379
5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole
CID 178036677
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
CID 143864203
3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal
CID 86663366
1-(oxan-2-yl)-5-pent-1-ynylindazole
CID 66793301
4-[1-(oxan-2-yl)indazol-5-yl]but-3-yn-1-ol
CID 66793408

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole?
The IUPAC name of 1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole (CID 178036760) is 1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole.
What is the SMILES notation for 1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole?
The canonical SMILES for 1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole is c1cc2c(cnn2C2CCCCO2)cc1CC1COC1.
What is the InChIKey of 1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole?
The InChIKey is QOYYSEPAFCVQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-6-20-16(3-1)18-15-5-4-12(7-13-10-19-11-13)8-14(15)9-17-18/h4-5,8-9,13,16H,1-3,6-7,10-11H2.
What are the key properties of 1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole?
1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole has a molecular weight of 272.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole is sourced from PubChem (CID 178036760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).