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

C12H14BrN3O3 — CID 75437258

IUPAC5-bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESCOc1cc(=O)n(Cc2nnc(C(C)C)o2)cc1Br
InChIInChI=1S/C12H14BrN3O3/c1-7(2)12-15-14-10(19-12)6-16-5-8(13)9(18-3)4-11(16)17/h4-5,7H,6H2,1-3H3
InChIKeyTWWFRLIBTZBLBT-UHFFFAOYSA-N
MW328.17 g/mol
LogP2.17
Rot. Bonds4

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

5-bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (PubChem CID 75437258) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is 5-bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
PubChem CID75437258
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name5-bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
SMILESCOc1cc(=O)n(Cc2nnc(C(C)C)o2)cc1Br
InChIInChI=1S/C12H14BrN3O3/c1-7(2)12-15-14-10(19-12)6-16-5-8(13)9(18-3)4-11(16)17/h4-5,7H,6H2,1-3H3
InChIKeyTWWFRLIBTZBLBT-UHFFFAOYSA-N
XLogP2.17
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 60746497
5-Bromo-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxypyridin-2-one
CID 75437288
5-Bromo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 83133220
3,5-Dibromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 104438617
5-Bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one
CID 115282679

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one (CID 75437258) is 5-bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is COc1cc(=O)n(Cc2nnc(C(C)C)o2)cc1Br.
What is the InChIKey of 5-bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
The InChIKey is TWWFRLIBTZBLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c1-7(2)12-15-14-10(19-12)6-16-5-8(13)9(18-3)4-11(16)17/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one?
5-bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one has a molecular weight of 328.17 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 75437258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).