3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole

C18H17FN2O2 — CID 23589658

IUPAC3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole
SMILESFc1cccc(-c2n[nH]c3ccc(CO[C@H]4CCOC4)cc23)c1
InChIInChI=1S/C18H17FN2O2/c19-14-3-1-2-13(9-14)18-16-8-12(4-5-17(16)20-21-18)10-23-15-6-7-22-11-15/h1-5,8-9,15H,6-7,10-11H2,(H,20,21)/t15-/m0/s1
InChIKeyMKFNWZAGIOCDFI-HNNXBMFYSA-N
MW312.34 g/mol
LogP3.67
Rot. Bonds4

About 3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole

3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole (PubChem CID 23589658) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole
PubChem CID23589658
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole
SMILESFc1cccc(-c2n[nH]c3ccc(CO[C@H]4CCOC4)cc23)c1
InChIInChI=1S/C18H17FN2O2/c19-14-3-1-2-13(9-14)18-16-8-12(4-5-17(16)20-21-18)10-23-15-6-7-22-11-15/h1-5,8-9,15H,6-7,10-11H2,(H,20,21)/t15-/m0/s1
InChIKeyMKFNWZAGIOCDFI-HNNXBMFYSA-N
XLogP3.67
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole?
The IUPAC name of 3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole (CID 23589658) is 3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole is Fc1cccc(-c2n[nH]c3ccc(CO[C@H]4CCOC4)cc23)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole?
The InChIKey is MKFNWZAGIOCDFI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-14-3-1-2-13(9-14)18-16-8-12(4-5-17(16)20-21-18)10-23-15-6-7-22-11-15/h1-5,8-9,15H,6-7,10-11H2,(H,20,21)/t15-/m0/s1.
What are the key properties of 3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole?
3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole has a molecular weight of 312.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-[[(3S)-oxolan-3-yl]oxymethyl]-1H-indazole is sourced from PubChem (CID 23589658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).