5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

C11H15N5O2 — CID 55212892

IUPAC5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NN)no1
InChIInChI=1S/C11H15N5O2/c1-7(2)10-13-3-4-16(10)6-8-5-9(15-18-8)11(17)14-12/h3-5,7H,6,12H2,1-2H3,(H,14,17)
InChIKeyWOBMCDUUBZOECZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.65
Rot. Bonds4

About 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 55212892) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID55212892
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NN)no1
InChIInChI=1S/C11H15N5O2/c1-7(2)10-13-3-4-16(10)6-8-5-9(15-18-8)11(17)14-12/h3-5,7H,6,12H2,1-2H3,(H,14,17)
InChIKeyWOBMCDUUBZOECZ-UHFFFAOYSA-N
XLogP0.65
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397268
5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide
CID 63579908
5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63577211
5-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63582424
5-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63582796
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
3-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 43620966
5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 104735539
5-[(4,5-dicyanoimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 112595905
5-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998
5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63570255
5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63579229

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (CID 55212892) is 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is CC(C)c1nccn1Cc1cc(C(=O)NN)no1.
What is the InChIKey of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is WOBMCDUUBZOECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7(2)10-13-3-4-16(10)6-8-5-9(15-18-8)11(17)14-12/h3-5,7H,6,12H2,1-2H3,(H,14,17).
What are the key properties of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 249.27 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 55212892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).