6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole

C20H18FN3O — CID 118382387

IUPAC6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole
SMILESFc1ccc2c(-c3ccc4nc(C5CCNCC5)oc4c3)c[nH]c2c1
InChIInChI=1S/C20H18FN3O/c21-14-2-3-15-16(11-23-18(15)10-14)13-1-4-17-19(9-13)25-20(24-17)12-5-7-22-8-6-12/h1-4,9-12,22-23H,5-8H2
InChIKeyJFMIXWGRNQRTAK-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.58
Rot. Bonds2

About 6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole

6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole (PubChem CID 118382387) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole
PubChem CID118382387
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole
SMILESFc1ccc2c(-c3ccc4nc(C5CCNCC5)oc4c3)c[nH]c2c1
InChIInChI=1S/C20H18FN3O/c21-14-2-3-15-16(11-23-18(15)10-14)13-1-4-17-19(9-13)25-20(24-17)12-5-7-22-8-6-12/h1-4,9-12,22-23H,5-8H2
InChIKeyJFMIXWGRNQRTAK-UHFFFAOYSA-N
XLogP4.58
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole?
The IUPAC name of 6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole (CID 118382387) is 6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole?
The canonical SMILES for 6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole is Fc1ccc2c(-c3ccc4nc(C5CCNCC5)oc4c3)c[nH]c2c1.
What is the InChIKey of 6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole?
The InChIKey is JFMIXWGRNQRTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-14-2-3-15-16(11-23-18(15)10-14)13-1-4-17-19(9-13)25-20(24-17)12-5-7-22-8-6-12/h1-4,9-12,22-23H,5-8H2.
What are the key properties of 6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole?
6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole has a molecular weight of 335.38 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-1H-indol-3-yl)-2-piperidin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 118382387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).