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

C12H16N4O2S — CID 79494594

IUPAC5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCN(CCc1cccs1)Cc1cc(C(=O)NN)no1
InChIInChI=1S/C12H16N4O2S/c1-16(5-4-10-3-2-6-19-10)8-9-7-11(15-18-9)12(17)14-13/h2-3,6-7H,4-5,8,13H2,1H3,(H,14,17)
InChIKeyPSNUSZVALCLMPY-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.01
Rot. Bonds6

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

5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 79494594) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID79494594
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCN(CCc1cccs1)Cc1cc(C(=O)NN)no1
InChIInChI=1S/C12H16N4O2S/c1-16(5-4-10-3-2-6-19-10)8-9-7-11(15-18-9)12(17)14-13/h2-3,6-7H,4-5,8,13H2,1H3,(H,14,17)
InChIKeyPSNUSZVALCLMPY-UHFFFAOYSA-N
XLogP1.01
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.01
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-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63571789
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-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 107206508
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585244
5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63570255
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569750
5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572496
5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one
CID 79486633
5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63585313
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585819

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (CID 79494594) is 5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is CN(CCc1cccs1)Cc1cc(C(=O)NN)no1.
What is the InChIKey of 5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is PSNUSZVALCLMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-16(5-4-10-3-2-6-19-10)8-9-7-11(15-18-9)12(17)14-13/h2-3,6-7H,4-5,8,13H2,1H3,(H,14,17).
What are the key properties of 5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 280.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 79494594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).