5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide

C14H24N4O2 — CID 63578218

IUPAC5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCC1CCC(N(C)Cc2cc(C(=O)NN)no2)CC1
InChIInChI=1S/C14H24N4O2/c1-3-10-4-6-11(7-5-10)18(2)9-12-8-13(17-20-12)14(19)16-15/h8,10-11H,3-7,9,15H2,1-2H3,(H,16,19)
InChIKeyLOKVFDUIIPBVEQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.68
Rot. Bonds5

About 5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide

5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63578218) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63578218
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide
SMILESCCC1CCC(N(C)Cc2cc(C(=O)NN)no2)CC1
InChIInChI=1S/C14H24N4O2/c1-3-10-4-6-11(7-5-10)18(2)9-12-8-13(17-20-12)14(19)16-15/h8,10-11H,3-7,9,15H2,1-2H3,(H,16,19)
InChIKeyLOKVFDUIIPBVEQ-UHFFFAOYSA-N
XLogP1.68
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide (CID 63578218) is 5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide is CCC1CCC(N(C)Cc2cc(C(=O)NN)no2)CC1.
What is the InChIKey of 5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is LOKVFDUIIPBVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-10-4-6-11(7-5-10)18(2)9-12-8-13(17-20-12)14(19)16-15/h8,10-11H,3-7,9,15H2,1-2H3,(H,16,19).
What are the key properties of 5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide?
5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 280.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63578218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).