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

C10H11BrN4O2 — CID 66309135

IUPAC5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
SMILESCCCc1noc(Cn2cncc(Br)c2=O)n1
InChIInChI=1S/C10H11BrN4O2/c1-2-3-8-13-9(17-14-8)5-15-6-12-4-7(11)10(15)16/h4,6H,2-3,5H2,1H3
InChIKeyOXFGJASHQMNMJA-UHFFFAOYSA-N
MW299.13 g/mol
LogP1.39
Rot. Bonds4

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

5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one (PubChem CID 66309135) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
PubChem CID66309135
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
SMILESCCCc1noc(Cn2cncc(Br)c2=O)n1
InChIInChI=1S/C10H11BrN4O2/c1-2-3-8-13-9(17-14-8)5-15-6-12-4-7(11)10(15)16/h4,6H,2-3,5H2,1H3
InChIKeyOXFGJASHQMNMJA-UHFFFAOYSA-N
XLogP1.39
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one
CID 66309150
3-bromo-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 114761369
5-fluoro-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 99831505
7-bromo-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 78961579
3-prop-2-enyl-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 36814773
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 55038851
1-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-one
CID 116624283
5-bromo-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 66310631
5-bromo-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608469
5-bromo-3-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrimidin-4-one
CID 66309579
3,5-dibromo-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 107738411
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
CID 63750375

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one (CID 66309135) is 5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one is CCCc1noc(Cn2cncc(Br)c2=O)n1.
What is the InChIKey of 5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one?
The InChIKey is OXFGJASHQMNMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-2-3-8-13-9(17-14-8)5-15-6-12-4-7(11)10(15)16/h4,6H,2-3,5H2,1H3.
What are the key properties of 5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one?
5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one has a molecular weight of 299.13 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 66309135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).