6-fluoro-3-[1-[3-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole

C24H26FN3O3 — CID 15380104

IUPAC6-fluoro-3-[1-[3-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCOc1cc2[nH]ccc2cc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C24H26FN3O3/c1-29-22-15-20-17(5-8-26-20)13-23(22)30-12-2-9-28-10-6-16(7-11-28)24-19-4-3-18(25)14-21(19)31-27-24/h3-5,8,13-16,26H,2,6-7,9-12H2,1H3
InChIKeyZYEMHLKWOLZWOA-UHFFFAOYSA-N
MW423.49 g/mol
LogP5.11
Rot. Bonds7

About 6-fluoro-3-[1-[3-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole

6-fluoro-3-[1-[3-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole (PubChem CID 15380104) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 6-fluoro-3-[1-[3-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-[3-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole
PubChem CID15380104
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name6-fluoro-3-[1-[3-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCOc1cc2[nH]ccc2cc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C24H26FN3O3/c1-29-22-15-20-17(5-8-26-20)13-23(22)30-12-2-9-28-10-6-16(7-11-28)24-19-4-3-18(25)14-21(19)31-27-24/h3-5,8,13-16,26H,2,6-7,9-12H2,1H3
InChIKeyZYEMHLKWOLZWOA-UHFFFAOYSA-N
XLogP5.11
TPSA63.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-[3-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole (CID 15380104) is 6-fluoro-3-[1-[3-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-[3-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-[3-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole is COc1cc2[nH]ccc2cc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 6-fluoro-3-[1-[3-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is ZYEMHLKWOLZWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-29-22-15-20-17(5-8-26-20)13-23(22)30-12-2-9-28-10-6-16(7-11-28)24-19-4-3-18(25)14-21(19)31-27-24/h3-5,8,13-16,26H,2,6-7,9-12H2,1H3.
What are the key properties of 6-fluoro-3-[1-[3-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-[3-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 423.49 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[3-[(6-methoxy-1H-indol-5-yl)oxy]propyl]piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 15380104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).