5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

C10H11N5O4 — CID 63812522

IUPAC5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCn1ccc(=O)n(Cc2cc(C(=O)NN)no2)c1=O
InChIInChI=1S/C10H11N5O4/c1-14-3-2-8(16)15(10(14)18)5-6-4-7(13-19-6)9(17)12-11/h2-4H,5,11H2,1H3,(H,12,17)
InChIKeyOYELRUXPQXAUOW-UHFFFAOYSA-N
MW265.23 g/mol
LogP-1.81
Rot. Bonds3

About 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63812522) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63812522
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Name5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCn1ccc(=O)n(Cc2cc(C(=O)NN)no2)c1=O
InChIInChI=1S/C10H11N5O4/c1-14-3-2-8(16)15(10(14)18)5-6-4-7(13-19-6)9(17)12-11/h2-4H,5,11H2,1H3,(H,12,17)
InChIKeyOYELRUXPQXAUOW-UHFFFAOYSA-N
XLogP-1.81
TPSA125.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-1.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63812365
2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63812364
5-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63582796
5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 79507342
5-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998
5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63579229
5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 104735539
5-[(4-hydroxy-4-methylazepan-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 107408898
5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 55212892
5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63810910
5-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572291
5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63582424

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (CID 63812522) is 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is Cn1ccc(=O)n(Cc2cc(C(=O)NN)no2)c1=O.
What is the InChIKey of 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is OYELRUXPQXAUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-14-3-2-8(16)15(10(14)18)5-6-4-7(13-19-6)9(17)12-11/h2-4H,5,11H2,1H3,(H,12,17).
What are the key properties of 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 265.23 g/mol, XLogP of -1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63812522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).