2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole

C21H20N4O2 — CID 67806413

IUPAC2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole
SMILESc1coc(-c2ccc3c(ccn3-c3ccc(OC4CCNCC4)cn3)c2)n1
InChIInChI=1S/C21H20N4O2/c1-3-19-15(13-16(1)21-23-10-12-26-21)7-11-25(19)20-4-2-18(14-24-20)27-17-5-8-22-9-6-17/h1-4,7,10-14,17,22H,5-6,8-9H2
InChIKeyLTZRJLLQEOZLEE-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.81
Rot. Bonds4

About 2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole

2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole (PubChem CID 67806413) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole
PubChem CID67806413
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole
SMILESc1coc(-c2ccc3c(ccn3-c3ccc(OC4CCNCC4)cn3)c2)n1
InChIInChI=1S/C21H20N4O2/c1-3-19-15(13-16(1)21-23-10-12-26-21)7-11-25(19)20-4-2-18(14-24-20)27-17-5-8-22-9-6-17/h1-4,7,10-14,17,22H,5-6,8-9H2
InChIKeyLTZRJLLQEOZLEE-UHFFFAOYSA-N
XLogP3.81
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole (CID 67806413) is 2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole is c1coc(-c2ccc3c(ccn3-c3ccc(OC4CCNCC4)cn3)c2)n1.
What is the InChIKey of 2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole?
The InChIKey is LTZRJLLQEOZLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-19-15(13-16(1)21-23-10-12-26-21)7-11-25(19)20-4-2-18(14-24-20)27-17-5-8-22-9-6-17/h1-4,7,10-14,17,22H,5-6,8-9H2.
What are the key properties of 2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole?
2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole has a molecular weight of 360.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-piperidin-4-yloxy-2-pyridinyl)indol-5-yl]-1,3-oxazole is sourced from PubChem (CID 67806413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).