5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide

C13H24N4O2 — CID 63572496

IUPAC5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCCCN(CCCC)Cc1cc(C(=O)NN)no1
InChIInChI=1S/C13H24N4O2/c1-3-5-7-17(8-6-4-2)10-11-9-12(16-19-11)13(18)15-14/h9H,3-8,10,14H2,1-2H3,(H,15,18)
InChIKeyPEZJPQGIIJYWRO-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.68
Rot. Bonds9

About 5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide

5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63572496) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63572496
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCCCN(CCCC)Cc1cc(C(=O)NN)no1
InChIInChI=1S/C13H24N4O2/c1-3-5-7-17(8-6-4-2)10-11-9-12(16-19-11)13(18)15-14/h9H,3-8,10,14H2,1-2H3,(H,15,18)
InChIKeyPEZJPQGIIJYWRO-UHFFFAOYSA-N
XLogP1.68
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(dibutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397880
5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 107206508
5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585819
N-butan-2-yl-5-[(dipropylamino)methyl]-1,2-oxazole-3-carboxamide
CID 126813963
5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63570255
5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 112666606
5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63575530
5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63572716
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63579150
2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide
CID 63571778
2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-propan-2-ylamino]acetamide
CID 63583631
2-[butyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 60968327

Frequently Asked Questions

What is the IUPAC name of 5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide (CID 63572496) is 5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide is CCCCN(CCCC)Cc1cc(C(=O)NN)no1.
What is the InChIKey of 5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is PEZJPQGIIJYWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-5-7-17(8-6-4-2)10-11-9-12(16-19-11)13(18)15-14/h9H,3-8,10,14H2,1-2H3,(H,15,18).
What are the key properties of 5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 268.36 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63572496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).