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

C11H20N4O3 — CID 107206508

IUPAC5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCN(CCCCCO)Cc1cc(C(=O)NN)no1
InChIInChI=1S/C11H20N4O3/c1-15(5-3-2-4-6-16)8-9-7-10(14-18-9)11(17)13-12/h7,16H,2-6,8,12H2,1H3,(H,13,17)
InChIKeyHWVHRZNNTBPDOQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.13
Rot. Bonds8

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

5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 107206508) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID107206508
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCN(CCCCCO)Cc1cc(C(=O)NN)no1
InChIInChI=1S/C11H20N4O3/c1-15(5-3-2-4-6-16)8-9-7-10(14-18-9)11(17)13-12/h7,16H,2-6,8,12H2,1H3,(H,13,17)
InChIKeyHWVHRZNNTBPDOQ-UHFFFAOYSA-N
XLogP-0.13
TPSA104.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 112666606
2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide
CID 63571778
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
5-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylfuran-2-carbohydrazide
CID 107206516
5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63570255
5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 79494594
5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63571789
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585244
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569750
5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63572716
5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63585313

Frequently Asked Questions

What is the IUPAC name of 5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (CID 107206508) is 5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is CN(CCCCCO)Cc1cc(C(=O)NN)no1.
What is the InChIKey of 5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is HWVHRZNNTBPDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-15(5-3-2-4-6-16)8-9-7-10(14-18-9)11(17)13-12/h7,16H,2-6,8,12H2,1H3,(H,13,17).
What are the key properties of 5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 256.31 g/mol, XLogP of -0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 107206508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).