ethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate

C18H28N2O5 — CID 22480776

IUPACethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(C(CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H28N2O5/c1-2-24-18(22)15-12-25-17(19-15)14(11-16(21)20-23)10-6-9-13-7-4-3-5-8-13/h12-14,23H,2-11H2,1H3,(H,20,21)
InChIKeyUBSJMEQOHMNQDO-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.58
Rot. Bonds9

About ethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate

ethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate (PubChem CID 22480776) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is ethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate
PubChem CID22480776
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Nameethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(C(CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H28N2O5/c1-2-24-18(22)15-12-25-17(19-15)14(11-16(21)20-23)10-6-9-13-7-4-3-5-8-13/h12-14,23H,2-11H2,1H3,(H,20,21)
InChIKeyUBSJMEQOHMNQDO-UHFFFAOYSA-N
XLogP3.58
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 ethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate (CID 22480776) is ethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(C(CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of ethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is UBSJMEQOHMNQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-2-24-18(22)15-12-25-17(19-15)14(11-16(21)20-23)10-6-9-13-7-4-3-5-8-13/h12-14,23H,2-11H2,1H3,(H,20,21).
What are the key properties of ethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate?
ethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 352.43 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 22480776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).