6-fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole

C24H26FN3O3 — CID 19420328

IUPAC6-fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCOc1ccc2c(ccn2OCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1
InChIInChI=1S/C24H26FN3O3/c1-29-20-4-6-22-18(15-20)9-13-28(22)30-14-2-10-27-11-7-17(8-12-27)24-21-5-3-19(25)16-23(21)31-26-24/h3-6,9,13,15-17H,2,7-8,10-12,14H2,1H3
InChIKeyMCHLKHHLKXNQJA-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.63
Rot. Bonds7

About 6-fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole

6-fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole (PubChem CID 19420328) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 6-fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole
PubChem CID19420328
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name6-fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCOc1ccc2c(ccn2OCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1
InChIInChI=1S/C24H26FN3O3/c1-29-20-4-6-22-18(15-20)9-13-28(22)30-14-2-10-27-11-7-17(8-12-27)24-21-5-3-19(25)16-23(21)31-26-24/h3-6,9,13,15-17H,2,7-8,10-12,14H2,1H3
InChIKeyMCHLKHHLKXNQJA-UHFFFAOYSA-N
XLogP4.63
TPSA52.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole (CID 19420328) is 6-fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole is COc1ccc2c(ccn2OCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1.
What is the InChIKey of 6-fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is MCHLKHHLKXNQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-29-20-4-6-22-18(15-20)9-13-28(22)30-14-2-10-27-11-7-17(8-12-27)24-21-5-3-19(25)16-23(21)31-26-24/h3-6,9,13,15-17H,2,7-8,10-12,14H2,1H3.
What are the key properties of 6-fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 423.49 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[3-(5-methoxyindol-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 19420328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).