5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide

C12H14N4O3 — CID 63569750

IUPAC5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCN(Cc1cc(C(=O)NN)no1)c1ccc(O)cc1
InChIInChI=1S/C12H14N4O3/c1-16(8-2-4-9(17)5-3-8)7-10-6-11(15-19-10)12(18)14-13/h2-6,17H,7,13H2,1H3,(H,14,18)
InChIKeyOBSSUEKCOBTYLK-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.62
Rot. Bonds4

About 5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide

5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63569750) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63569750
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCN(Cc1cc(C(=O)NN)no1)c1ccc(O)cc1
InChIInChI=1S/C12H14N4O3/c1-16(8-2-4-9(17)5-3-8)7-10-6-11(15-19-10)12(18)14-13/h2-6,17H,7,13H2,1H3,(H,14,18)
InChIKeyOBSSUEKCOBTYLK-UHFFFAOYSA-N
XLogP0.62
TPSA104.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.62
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-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63585313
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carboxylic acid
CID 55053071
5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63570255
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-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63578218
5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63571789
5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572496
5-[(4-cyano-N-methylanilino)methyl]-1,2-oxazole-3-carboxylic acid
CID 55142151
5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 79494594
5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 82753867

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide (CID 63569750) is 5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide is CN(Cc1cc(C(=O)NN)no1)c1ccc(O)cc1.
What is the InChIKey of 5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is OBSSUEKCOBTYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-16(8-2-4-9(17)5-3-8)7-10-6-11(15-19-10)12(18)14-13/h2-6,17H,7,13H2,1H3,(H,14,18).
What are the key properties of 5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 262.27 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63569750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).