6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole

C23H24FN3O2 — CID 67737105

IUPAC6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCCCN3CCCOc3cccc4cc[nH]c34)noc2c1
InChIInChI=1S/C23H24FN3O2/c24-17-8-9-18-21(15-17)29-26-23(18)19-6-1-2-12-27(19)13-4-14-28-20-7-3-5-16-10-11-25-22(16)20/h3,5,7-11,15,19,25H,1-2,4,6,12-14H2
InChIKeyWTFZWPNRXVCCRL-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.44
Rot. Bonds6

About 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole

6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole (PubChem CID 67737105) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole
PubChem CID67737105
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCCCN3CCCOc3cccc4cc[nH]c34)noc2c1
InChIInChI=1S/C23H24FN3O2/c24-17-8-9-18-21(15-17)29-26-23(18)19-6-1-2-12-27(19)13-4-14-28-20-7-3-5-16-10-11-25-22(16)20/h3,5,7-11,15,19,25H,1-2,4,6,12-14H2
InChIKeyWTFZWPNRXVCCRL-UHFFFAOYSA-N
XLogP5.44
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole (CID 67737105) is 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole is Fc1ccc2c(C3CCCCN3CCCOc3cccc4cc[nH]c34)noc2c1.
What is the InChIKey of 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole?
The InChIKey is WTFZWPNRXVCCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-17-8-9-18-21(15-17)29-26-23(18)19-6-1-2-12-27(19)13-4-14-28-20-7-3-5-16-10-11-25-22(16)20/h3,5,7-11,15,19,25H,1-2,4,6,12-14H2.
What are the key properties of 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole?
6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole has a molecular weight of 393.46 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-2-yl]-1,2-benzoxazole is sourced from PubChem (CID 67737105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).