5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one

C12H12BrN3O2 — CID 71915182

IUPAC5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1nnc(C2CCC2)o1
InChIInChI=1S/C12H12BrN3O2/c13-9-4-5-11(17)16(6-9)7-10-14-15-12(18-10)8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyMZRBUNVQKUQUQK-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.31
Rot. Bonds3

About 5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one

5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (PubChem CID 71915182) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
PubChem CID71915182
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1nnc(C2CCC2)o1
InChIInChI=1S/C12H12BrN3O2/c13-9-4-5-11(17)16(6-9)7-10-14-15-12(18-10)8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyMZRBUNVQKUQUQK-UHFFFAOYSA-N
XLogP2.31
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (CID 71915182) is 5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is O=c1ccc(Br)cn1Cc1nnc(C2CCC2)o1.
What is the InChIKey of 5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The InChIKey is MZRBUNVQKUQUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-9-4-5-11(17)16(6-9)7-10-14-15-12(18-10)8-2-1-3-8/h4-6,8H,1-3,7H2.
What are the key properties of 5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one has a molecular weight of 310.15 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 71915182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).