5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

C9H8BrN5O4 — CID 55236529

IUPAC5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(Cn2cc(Br)c(=O)[nH]c2=O)on1
InChIInChI=1S/C9H8BrN5O4/c10-5-3-15(9(18)12-7(5)16)2-4-1-6(14-19-4)8(17)13-11/h1,3H,2,11H2,(H,13,17)(H,12,16,18)
InChIKeyJMNZZEWBZJQPST-UHFFFAOYSA-N
MW330.10 g/mol
LogP-1.06
Rot. Bonds3

About 5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 55236529) has the molecular formula C9H8BrN5O4 and a molecular weight of 330.10 g/mol. Its IUPAC name is 5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID55236529
Molecular FormulaC9H8BrN5O4
Molecular Weight330.10 g/mol
Exact Mass328.98
IUPAC Name5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(Cn2cc(Br)c(=O)[nH]c2=O)on1
InChIInChI=1S/C9H8BrN5O4/c10-5-3-15(9(18)12-7(5)16)2-4-1-6(14-19-4)8(17)13-11/h1,3H,2,11H2,(H,13,17)(H,12,16,18)
InChIKeyJMNZZEWBZJQPST-UHFFFAOYSA-N
XLogP-1.06
TPSA136.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.10
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (CID 55236529) is 5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(Cn2cc(Br)c(=O)[nH]c2=O)on1.
What is the InChIKey of 5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is JMNZZEWBZJQPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5O4/c10-5-3-15(9(18)12-7(5)16)2-4-1-6(14-19-4)8(17)13-11/h1,3H,2,11H2,(H,13,17)(H,12,16,18).
What are the key properties of 5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 330.10 g/mol, XLogP of -1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 55236529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).