2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole

C10H10BrN3O — CID 46739504

IUPAC2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C10H10BrN3O/c1-2-3-9-13-14-10(15-9)7-4-8(11)6-12-5-7/h4-6H,2-3H2,1H3
InChIKeyNXCRQOJMGOGZLB-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.85
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole

2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole (PubChem CID 46739504) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole
PubChem CID46739504
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole
SMILESCCCc1nnc(-c2cncc(Br)c2)o1
InChIInChI=1S/C10H10BrN3O/c1-2-3-9-13-14-10(15-9)7-4-8(11)6-12-5-7/h4-6H,2-3H2,1H3
InChIKeyNXCRQOJMGOGZLB-UHFFFAOYSA-N
XLogP2.85
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole (CID 46739504) is 2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole is CCCc1nnc(-c2cncc(Br)c2)o1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole?
The InChIKey is NXCRQOJMGOGZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-2-3-9-13-14-10(15-9)7-4-8(11)6-12-5-7/h4-6H,2-3H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole?
2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole has a molecular weight of 268.11 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole is sourced from PubChem (CID 46739504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).