5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole

C18H22N2O2 — CID 178036677

IUPAC5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole
SMILESc1cc2c(cnn2C2CCCCO2)cc1C12COCCC1C2
InChIInChI=1S/C18H22N2O2/c1-2-7-22-17(3-1)20-16-5-4-14(9-13(16)11-19-20)18-10-15(18)6-8-21-12-18/h4-5,9,11,15,17H,1-3,6-8,10,12H2
InChIKeyUBMCZAXLDPQXHI-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.41
Rot. Bonds2

About 5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole

5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole (PubChem CID 178036677) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole
PubChem CID178036677
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole
SMILESc1cc2c(cnn2C2CCCCO2)cc1C12COCCC1C2
InChIInChI=1S/C18H22N2O2/c1-2-7-22-17(3-1)20-16-5-4-14(9-13(16)11-19-20)18-10-15(18)6-8-21-12-18/h4-5,9,11,15,17H,1-3,6-8,10,12H2
InChIKeyUBMCZAXLDPQXHI-UHFFFAOYSA-N
XLogP3.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(oxan-2-yl)indazole
CID 138754771
1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole
CID 178036760
2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
CID 170560839
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
1-[(2S)-oxan-2-yl]indazole
CID 124562379
5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
CID 165137431
5-benzyl-1-(oxan-2-yl)indazole
CID 156734105
3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal
CID 86663366
5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
CID 143864203
5-(1,3-dibenzylpyrrolidin-3-yl)-1-(oxan-2-yl)indazole
CID 66866271
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218

Frequently Asked Questions

What is the IUPAC name of 5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole?
The IUPAC name of 5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole (CID 178036677) is 5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole.
What is the SMILES notation for 5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole?
The canonical SMILES for 5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole is c1cc2c(cnn2C2CCCCO2)cc1C12COCCC1C2.
What is the InChIKey of 5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole?
The InChIKey is UBMCZAXLDPQXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-7-22-17(3-1)20-16-5-4-14(9-13(16)11-19-20)18-10-15(18)6-8-21-12-18/h4-5,9,11,15,17H,1-3,6-8,10,12H2.
What are the key properties of 5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole?
5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole has a molecular weight of 298.39 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxabicyclo[4.1.0]heptan-1-yl)-1-(oxan-2-yl)indazole is sourced from PubChem (CID 178036677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).