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

C26H22FN3O2 — CID 22023238

IUPAC6-fluoro-3-[1-[3-(1H-indol-7-yloxy)phenyl]piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(c4cccc(Oc5cccc6cc[nH]c56)c4)CC3)noc2c1
InChIInChI=1S/C26H22FN3O2/c27-19-7-8-22-24(15-19)32-29-25(22)18-10-13-30(14-11-18)20-4-2-5-21(16-20)31-23-6-1-3-17-9-12-28-26(17)23/h1-9,12,15-16,18,28H,10-11,13-14H2
InChIKeyKIXTVKPJBDNOIJ-UHFFFAOYSA-N
MW427.48 g/mol
LogP6.62
Rot. Bonds4

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

6-fluoro-3-[1-[3-(1H-indol-7-yloxy)phenyl]piperidin-4-yl]-1,2-benzoxazole (PubChem CID 22023238) has the molecular formula C26H22FN3O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)phenyl]piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-[3-(1H-indol-7-yloxy)phenyl]piperidin-4-yl]-1,2-benzoxazole
PubChem CID22023238
Molecular FormulaC26H22FN3O2
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC Name6-fluoro-3-[1-[3-(1H-indol-7-yloxy)phenyl]piperidin-4-yl]-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(c4cccc(Oc5cccc6cc[nH]c56)c4)CC3)noc2c1
InChIInChI=1S/C26H22FN3O2/c27-19-7-8-22-24(15-19)32-29-25(22)18-10-13-30(14-11-18)20-4-2-5-21(16-20)31-23-6-1-3-17-9-12-28-26(17)23/h1-9,12,15-16,18,28H,10-11,13-14H2
InChIKeyKIXTVKPJBDNOIJ-UHFFFAOYSA-N
XLogP6.62
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)phenyl]piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)phenyl]piperidin-4-yl]-1,2-benzoxazole (CID 22023238) is 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)phenyl]piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)phenyl]piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)phenyl]piperidin-4-yl]-1,2-benzoxazole is Fc1ccc2c(C3CCN(c4cccc(Oc5cccc6cc[nH]c56)c4)CC3)noc2c1.
What is the InChIKey of 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)phenyl]piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is KIXTVKPJBDNOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O2/c27-19-7-8-22-24(15-19)32-29-25(22)18-10-13-30(14-11-18)20-4-2-5-21(16-20)31-23-6-1-3-17-9-12-28-26(17)23/h1-9,12,15-16,18,28H,10-11,13-14H2.
What are the key properties of 6-fluoro-3-[1-[3-(1H-indol-7-yloxy)phenyl]piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-[3-(1H-indol-7-yloxy)phenyl]piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 427.48 g/mol, XLogP of 6.62, 4 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)phenyl]piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 22023238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).