5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide

C11H20N4O2 — CID 63572716

IUPAC5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCC(C)N(CC)Cc1cc(C(=O)NN)no1
InChIInChI=1S/C11H20N4O2/c1-4-8(3)15(5-2)7-9-6-10(14-17-9)11(16)13-12/h6,8H,4-5,7,12H2,1-3H3,(H,13,16)
InChIKeyUAMAWNARKUCBDA-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.90
Rot. Bonds6

About 5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide

5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63572716) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63572716
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCC(C)N(CC)Cc1cc(C(=O)NN)no1
InChIInChI=1S/C11H20N4O2/c1-4-8(3)15(5-2)7-9-6-10(14-17-9)11(16)13-12/h6,8H,4-5,7,12H2,1-3H3,(H,13,16)
InChIKeyUAMAWNARKUCBDA-UHFFFAOYSA-N
XLogP0.90
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.90
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

2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-propan-2-ylamino]acetamide
CID 63583631
5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63570255
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63579150
5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572496
2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide
CID 63571778
5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585819
5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 112666606
5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63585313
4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 63572329
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569750
5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 107206508
5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63578218

Frequently Asked Questions

What is the IUPAC name of 5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (CID 63572716) is 5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is CCC(C)N(CC)Cc1cc(C(=O)NN)no1.
What is the InChIKey of 5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is UAMAWNARKUCBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-8(3)15(5-2)7-9-6-10(14-17-9)11(16)13-12/h6,8H,4-5,7,12H2,1-3H3,(H,13,16).
What are the key properties of 5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 240.31 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63572716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).