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

C10H16N4O3 — CID 82753867

IUPAC5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCN(Cc1cc(C(=O)NN)no1)C1CCOC1
InChIInChI=1S/C10H16N4O3/c1-14(7-2-3-16-6-7)5-8-4-9(13-17-8)10(15)12-11/h4,7H,2-3,5-6,11H2,1H3,(H,12,15)
InChIKeyPGYZITQZZIQOKG-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.50
Rot. Bonds4

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

5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 82753867) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID82753867
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCN(Cc1cc(C(=O)NN)no1)C1CCOC1
InChIInChI=1S/C10H16N4O3/c1-14(7-2-3-16-6-7)5-8-4-9(13-17-8)10(15)12-11/h4,7H,2-3,5-6,11H2,1H3,(H,12,15)
InChIKeyPGYZITQZZIQOKG-UHFFFAOYSA-N
XLogP-0.50
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.50
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-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63578218
5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63570255
2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide
CID 63571778
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569750
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine
CID 55073850
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
3-[[methyl(oxolan-3-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 82735781
5-[[benzyl(methyl)amino]methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
CID 42122193
5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 107206508
5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63571789
5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572496

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide (CID 82753867) is 5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide is CN(Cc1cc(C(=O)NN)no1)C1CCOC1.
What is the InChIKey of 5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is PGYZITQZZIQOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-14(7-2-3-16-6-7)5-8-4-9(13-17-8)10(15)12-11/h4,7H,2-3,5-6,11H2,1H3,(H,12,15).
What are the key properties of 5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 240.26 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 82753867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).