(5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C19H17BrN4O2 — CID 50835218

IUPAC(5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cncc(Br)c1)N1CCCC(c2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C19H17BrN4O2/c20-16-9-15(10-21-11-16)19(25)24-8-4-7-14(12-24)18-23-22-17(26-18)13-5-2-1-3-6-13/h1-3,5-6,9-11,14H,4,7-8,12H2
InChIKeyJTIFAVDSBSWZPF-UHFFFAOYSA-N
MW413.28 g/mol
LogP3.91
Rot. Bonds3

About (5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

(5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 50835218) has the molecular formula C19H17BrN4O2 and a molecular weight of 413.28 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID50835218
Molecular FormulaC19H17BrN4O2
Molecular Weight413.28 g/mol
Exact Mass412.05
IUPAC Name(5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cncc(Br)c1)N1CCCC(c2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C19H17BrN4O2/c20-16-9-15(10-21-11-16)19(25)24-8-4-7-14(12-24)18-23-22-17(26-18)13-5-2-1-3-6-13/h1-3,5-6,9-11,14H,4,7-8,12H2
InChIKeyJTIFAVDSBSWZPF-UHFFFAOYSA-N
XLogP3.91
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 50835218) is (5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is O=C(c1cncc(Br)c1)N1CCCC(c2nnc(-c3ccccc3)o2)C1.
What is the InChIKey of (5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is JTIFAVDSBSWZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O2/c20-16-9-15(10-21-11-16)19(25)24-8-4-7-14(12-24)18-23-22-17(26-18)13-5-2-1-3-6-13/h1-3,5-6,9-11,14H,4,7-8,12H2.
What are the key properties of (5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 413.28 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 50835218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).