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

C10H10BrN3O2 — CID 60746497

IUPAC5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESCCc1nnc(Cn2cc(Br)ccc2=O)o1
InChIInChI=1S/C10H10BrN3O2/c1-2-8-12-13-9(16-8)6-14-5-7(11)3-4-10(14)15/h3-5H,2,6H2,1H3
InChIKeyPYRDZQULJVAESH-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.60
Rot. Bonds3

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

5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (PubChem CID 60746497) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
PubChem CID60746497
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESCCc1nnc(Cn2cc(Br)ccc2=O)o1
InChIInChI=1S/C10H10BrN3O2/c1-2-8-12-13-9(16-8)6-14-5-7(11)3-4-10(14)15/h3-5H,2,6H2,1H3
InChIKeyPYRDZQULJVAESH-UHFFFAOYSA-N
XLogP1.60
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 84590849
1-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 45811938
5-Fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 99831421
5-Fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 136529849
1-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxopyridine-4-carboxamide
CID 176096483
5-Bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 60627666
5-Bromo-1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 71915182
5-Bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 75437258
5-Bromo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 83133220
1-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxopyridine-3-carbonitrile
CID 103823138
3,5-Dibromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 104438617
3,5-Dibromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 104438721

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (CID 60746497) is 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is CCc1nnc(Cn2cc(Br)ccc2=O)o1.
What is the InChIKey of 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The InChIKey is PYRDZQULJVAESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-2-8-12-13-9(16-8)6-14-5-7(11)3-4-10(14)15/h3-5H,2,6H2,1H3.
What are the key properties of 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one has a molecular weight of 284.11 g/mol, XLogP of 1.60, 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-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 60746497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).