5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide

C13H17N5O2 — CID 63585819

IUPAC5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCN(Cc1ccncc1)Cc1cc(C(=O)NN)no1
InChIInChI=1S/C13H17N5O2/c1-2-18(8-10-3-5-15-6-4-10)9-11-7-12(17-20-11)13(19)16-14/h3-7H,2,8-9,14H2,1H3,(H,16,19)
InChIKeyKQBLUQNJVBUJTC-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.70
Rot. Bonds6

About 5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide

5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63585819) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63585819
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCN(Cc1ccncc1)Cc1cc(C(=O)NN)no1
InChIInChI=1S/C13H17N5O2/c1-2-18(8-10-3-5-15-6-4-10)9-11-7-12(17-20-11)13(19)16-14/h3-7H,2,8-9,14H2,1H3,(H,16,19)
InChIKeyKQBLUQNJVBUJTC-UHFFFAOYSA-N
XLogP0.70
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.70
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-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572496
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
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
3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63584520
5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63570255
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide
CID 55213852
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
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-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 79494594

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide (CID 63585819) is 5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is CCN(Cc1ccncc1)Cc1cc(C(=O)NN)no1.
What is the InChIKey of 5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is KQBLUQNJVBUJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-18(8-10-3-5-15-6-4-10)9-11-7-12(17-20-11)13(19)16-14/h3-7H,2,8-9,14H2,1H3,(H,16,19).
What are the key properties of 5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 275.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63585819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).