5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide

C11H15N5O3 — CID 116804129

IUPAC5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)n1cc(OCc2cc(C(=O)NN)no2)cn1
InChIInChI=1S/C11H15N5O3/c1-7(2)16-5-9(4-13-16)18-6-8-3-10(15-19-8)11(17)14-12/h3-5,7H,6,12H2,1-2H3,(H,14,17)
InChIKeyLBIWPUJOXOQLAZ-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.63
Rot. Bonds5

About 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide

5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 116804129) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide
PubChem CID116804129
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide
SMILESCC(C)n1cc(OCc2cc(C(=O)NN)no2)cn1
InChIInChI=1S/C11H15N5O3/c1-7(2)16-5-9(4-13-16)18-6-8-3-10(15-19-8)11(17)14-12/h3-5,7H,6,12H2,1-2H3,(H,14,17)
InChIKeyLBIWPUJOXOQLAZ-UHFFFAOYSA-N
XLogP0.63
TPSA108.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
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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Related Compounds

5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid
CID 116799953
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide
CID 116804146
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide
CID 116804127
5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214370
5-[(3,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63575726
[2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine
CID 116803596
5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576178
5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63579229
5-[(3-methylsulfonylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569829
N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxyacetamide
CID 116805305
5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
5-(3-hydroxybutan-2-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide
CID 107772095

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide (CID 116804129) is 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide is CC(C)n1cc(OCc2cc(C(=O)NN)no2)cn1.
What is the InChIKey of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is LBIWPUJOXOQLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-7(2)16-5-9(4-13-16)18-6-8-3-10(15-19-8)11(17)14-12/h3-5,7H,6,12H2,1-2H3,(H,14,17).
What are the key properties of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide?
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 265.27 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 116804129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).