1-[(2S)-oxan-2-yl]indazole

C12H14N2O — CID 124562379

IUPAC1-[(2S)-oxan-2-yl]indazole
SMILESc1ccc2c(c1)cnn2[C@@H]1CCCCO1
InChIInChI=1S/C12H14N2O/c1-2-6-11-10(5-1)9-13-14(11)12-7-3-4-8-15-12/h1-2,5-6,9,12H,3-4,7-8H2/t12-/m0/s1
InChIKeyHVCAUTAOQALMGO-LBPRGKRZSA-N
MW202.26 g/mol
LogP2.74
Rot. Bonds1

About 1-[(2S)-oxan-2-yl]indazole

1-[(2S)-oxan-2-yl]indazole (PubChem CID 124562379) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[(2S)-oxan-2-yl]indazole.

Molecular Properties

Compound Name1-[(2S)-oxan-2-yl]indazole
PubChem CID124562379
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-[(2S)-oxan-2-yl]indazole
SMILESc1ccc2c(c1)cnn2[C@@H]1CCCCO1
InChIInChI=1S/C12H14N2O/c1-2-6-11-10(5-1)9-13-14(11)12-7-3-4-8-15-12/h1-2,5-6,9,12H,3-4,7-8H2/t12-/m0/s1
InChIKeyHVCAUTAOQALMGO-LBPRGKRZSA-N
XLogP2.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(oxan-2-yl)indazole
CID 138754771
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
5-benzyl-1-(oxan-2-yl)indazole
CID 156734105
[1-(oxan-2-yl)indazol-6-yl]methanamine
CID 18616200
3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal
CID 86663366
5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 118798481
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
6-bromo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228962
[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
4-ethynyl-1-(oxan-2-yl)indazole
CID 155167654

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-oxan-2-yl]indazole?
The IUPAC name of 1-[(2S)-oxan-2-yl]indazole (CID 124562379) is 1-[(2S)-oxan-2-yl]indazole.
What is the SMILES notation for 1-[(2S)-oxan-2-yl]indazole?
The canonical SMILES for 1-[(2S)-oxan-2-yl]indazole is c1ccc2c(c1)cnn2[C@@H]1CCCCO1.
What is the InChIKey of 1-[(2S)-oxan-2-yl]indazole?
The InChIKey is HVCAUTAOQALMGO-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-6-11-10(5-1)9-13-14(11)12-7-3-4-8-15-12/h1-2,5-6,9,12H,3-4,7-8H2/t12-/m0/s1.
What are the key properties of 1-[(2S)-oxan-2-yl]indazole?
1-[(2S)-oxan-2-yl]indazole has a molecular weight of 202.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-oxan-2-yl]indazole is sourced from PubChem (CID 124562379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).