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

C14H18N4O2 — CID 63585313

IUPAC5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCc1ccc(N(C)Cc2cc(C(=O)NN)no2)cc1
InChIInChI=1S/C14H18N4O2/c1-3-10-4-6-11(7-5-10)18(2)9-12-8-13(17-20-12)14(19)16-15/h4-8H,3,9,15H2,1-2H3,(H,16,19)
InChIKeyKZDIOGSTVIFWFP-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.48
Rot. Bonds5

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

5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63585313) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63585313
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCc1ccc(N(C)Cc2cc(C(=O)NN)no2)cc1
InChIInChI=1S/C14H18N4O2/c1-3-10-4-6-11(7-5-10)18(2)9-12-8-13(17-20-12)14(19)16-15/h4-8H,3,9,15H2,1-2H3,(H,16,19)
InChIKeyKZDIOGSTVIFWFP-UHFFFAOYSA-N
XLogP1.48
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569750
5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214370
5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63570255
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carboxylic acid
CID 55053071
2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide
CID 63571778
5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63578218
4-ethyl-N-methyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]aniline
CID 62434937
5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63585819
5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572496
5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 112666606
5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63572716
5-[[5-hydroxypentyl(methyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 107206508

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide (CID 63585313) is 5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide is CCc1ccc(N(C)Cc2cc(C(=O)NN)no2)cc1.
What is the InChIKey of 5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is KZDIOGSTVIFWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-10-4-6-11(7-5-10)18(2)9-12-8-13(17-20-12)14(19)16-15/h4-8H,3,9,15H2,1-2H3,(H,16,19).
What are the key properties of 5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 274.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63585313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).