5-benzyl-1-(oxan-2-yl)indazole

C19H20N2O — CID 156734105

IUPAC5-benzyl-1-(oxan-2-yl)indazole
SMILESc1ccc(Cc2ccc3c(cnn3C3CCCCO3)c2)cc1
InChIInChI=1S/C19H20N2O/c1-2-6-15(7-3-1)12-16-9-10-18-17(13-16)14-20-21(18)19-8-4-5-11-22-19/h1-3,6-7,9-10,13-14,19H,4-5,8,11-12H2
InChIKeyXNSHVQLPYXVZNC-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.33
Rot. Bonds3

About 5-benzyl-1-(oxan-2-yl)indazole

5-benzyl-1-(oxan-2-yl)indazole (PubChem CID 156734105) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-benzyl-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name5-benzyl-1-(oxan-2-yl)indazole
PubChem CID156734105
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name5-benzyl-1-(oxan-2-yl)indazole
SMILESc1ccc(Cc2ccc3c(cnn3C3CCCCO3)c2)cc1
InChIInChI=1S/C19H20N2O/c1-2-6-15(7-3-1)12-16-9-10-18-17(13-16)14-20-21(18)19-8-4-5-11-22-19/h1-3,6-7,9-10,13-14,19H,4-5,8,11-12H2
InChIKeyXNSHVQLPYXVZNC-UHFFFAOYSA-N
XLogP4.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole
CID 178036760
1-[(2S)-oxan-2-yl]indazole
CID 124562379
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
CID 170560839
5-(1,3-dibenzylpyrrolidin-3-yl)-1-(oxan-2-yl)indazole
CID 66866271
[1-(oxan-2-yl)indazol-6-yl]methanamine
CID 18616200
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate
CID 175406283
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
[1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate
CID 175203924
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

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(oxan-2-yl)indazole?
The IUPAC name of 5-benzyl-1-(oxan-2-yl)indazole (CID 156734105) is 5-benzyl-1-(oxan-2-yl)indazole.
What is the SMILES notation for 5-benzyl-1-(oxan-2-yl)indazole?
The canonical SMILES for 5-benzyl-1-(oxan-2-yl)indazole is c1ccc(Cc2ccc3c(cnn3C3CCCCO3)c2)cc1.
What is the InChIKey of 5-benzyl-1-(oxan-2-yl)indazole?
The InChIKey is XNSHVQLPYXVZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-6-15(7-3-1)12-16-9-10-18-17(13-16)14-20-21(18)19-8-4-5-11-22-19/h1-3,6-7,9-10,13-14,19H,4-5,8,11-12H2.
What are the key properties of 5-benzyl-1-(oxan-2-yl)indazole?
5-benzyl-1-(oxan-2-yl)indazole has a molecular weight of 292.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(oxan-2-yl)indazole is sourced from PubChem (CID 156734105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).