2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide

C8H13N5O3 — CID 63571778

IUPAC2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1cc(C(=O)NN)no1
InChIInChI=1S/C8H13N5O3/c1-13(4-7(9)14)3-5-2-6(12-16-5)8(15)11-10/h2H,3-4,10H2,1H3,(H2,9,14)(H,11,15)
InChIKeyULUCHAJKJMXXAX-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.80
Rot. Bonds5

About 2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide

2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide (PubChem CID 63571778) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide
PubChem CID63571778
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1cc(C(=O)NN)no1
InChIInChI=1S/C8H13N5O3/c1-13(4-7(9)14)3-5-2-6(12-16-5)8(15)11-10/h2H,3-4,10H2,1H3,(H2,9,14)(H,11,15)
InChIKeyULUCHAJKJMXXAX-UHFFFAOYSA-N
XLogP-1.80
TPSA127.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
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-[[(2-amino-2-oxoethyl)-methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397938
2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-propan-2-ylamino]acetamide
CID 63583631
5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 112666606
5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 107206508
5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63570255
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-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 79494594
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569750
5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572496
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 2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide (CID 63571778) is 2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide is CN(CC(N)=O)Cc1cc(C(=O)NN)no1.
What is the InChIKey of 2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide?
The InChIKey is ULUCHAJKJMXXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c1-13(4-7(9)14)3-5-2-6(12-16-5)8(15)11-10/h2H,3-4,10H2,1H3,(H2,9,14)(H,11,15).
What are the key properties of 2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide?
2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide has a molecular weight of 227.22 g/mol, XLogP of -1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 63571778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).