6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole

C23H24FN3O2 — CID 15384965

IUPAC6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(CCCOc4cccc5cc[nH]c45)CC3)noc2c1
InChIInChI=1S/C23H24FN3O2/c24-18-5-6-19-21(15-18)29-26-22(19)17-8-12-27(13-9-17)11-2-14-28-20-4-1-3-16-7-10-25-23(16)20/h1,3-7,10,15,17,25H,2,8-9,11-14H2
InChIKeyAINVTDVZPVKJNB-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.10
Rot. Bonds6

About 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole

6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole (PubChem CID 15384965) 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-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole
PubChem CID15384965
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(CCCOc4cccc5cc[nH]c45)CC3)noc2c1
InChIInChI=1S/C23H24FN3O2/c24-18-5-6-19-21(15-18)29-26-22(19)17-8-12-27(13-9-17)11-2-14-28-20-4-1-3-16-7-10-25-23(16)20/h1,3-7,10,15,17,25H,2,8-9,11-14H2
InChIKeyAINVTDVZPVKJNB-UHFFFAOYSA-N
XLogP5.10
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 ≤ 55.10
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-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole (CID 15384965) is 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole is Fc1ccc2c(C3CCN(CCCOc4cccc5cc[nH]c45)CC3)noc2c1.
What is the InChIKey of 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is AINVTDVZPVKJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-18-5-6-19-21(15-18)29-26-22(19)17-8-12-27(13-9-17)11-2-14-28-20-4-1-3-16-7-10-25-23(16)20/h1,3-7,10,15,17,25H,2,8-9,11-14H2.
What are the key properties of 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-[3-(1H-indol-7-yloxy)propyl]piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 393.46 g/mol, XLogP of 5.10, 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-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 15384965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).