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

C10H10BrN3O2 — CID 114761369

IUPAC3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
SMILESCCc1noc(Cn2cccc(Br)c2=O)n1
InChIInChI=1S/C10H10BrN3O2/c1-2-8-12-9(16-13-8)6-14-5-3-4-7(11)10(14)15/h3-5H,2,6H2,1H3
InChIKeyKHCNRBMAPBQSER-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.60
Rot. Bonds3

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

3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one (PubChem CID 114761369) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
PubChem CID114761369
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
SMILESCCc1noc(Cn2cccc(Br)c2=O)n1
InChIInChI=1S/C10H10BrN3O2/c1-2-8-12-9(16-13-8)6-14-5-3-4-7(11)10(14)15/h3-5H,2,6H2,1H3
InChIKeyKHCNRBMAPBQSER-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

[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
CID 66408823
1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one
CID 116624283
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
CID 115646857
5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
CID 66309135
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopyridine-3-carbonitrile
CID 113233717
3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
CID 114760853
3-bromo-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridin-2-one
CID 130604154
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579323
5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
CID 28782458
3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 115637804
ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421775
3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 114761326

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one (CID 114761369) is 3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one is CCc1noc(Cn2cccc(Br)c2=O)n1.
What is the InChIKey of 3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
The InChIKey is KHCNRBMAPBQSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-2-8-12-9(16-13-8)6-14-5-3-4-7(11)10(14)15/h3-5H,2,6H2,1H3.
What are the key properties of 3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-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 3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one is sourced from PubChem (CID 114761369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).