2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid

C18H28N2O5 — CID 59074826

IUPAC2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESCCONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(C(=O)O)co1
InChIInChI=1S/C18H28N2O5/c1-2-25-20-16(21)11-14(17-19-15(12-24-17)18(22)23)10-6-9-13-7-4-3-5-8-13/h12-14H,2-11H2,1H3,(H,20,21)(H,22,23)/t14-/m1/s1
InChIKeyVGCVWFXMMFAFJE-CQSZACIVSA-N
MW352.43 g/mol
LogP3.66
Rot. Bonds10

About 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid

2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 59074826) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID59074826
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESCCONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(C(=O)O)co1
InChIInChI=1S/C18H28N2O5/c1-2-25-20-16(21)11-14(17-19-15(12-24-17)18(22)23)10-6-9-13-7-4-3-5-8-13/h12-14H,2-11H2,1H3,(H,20,21)(H,22,23)/t14-/m1/s1
InChIKeyVGCVWFXMMFAFJE-CQSZACIVSA-N
XLogP3.66
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid (CID 59074826) is 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid is CCONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(C(=O)O)co1.
What is the InChIKey of 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is VGCVWFXMMFAFJE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-2-25-20-16(21)11-14(17-19-15(12-24-17)18(22)23)10-6-9-13-7-4-3-5-8-13/h12-14H,2-11H2,1H3,(H,20,21)(H,22,23)/t14-/m1/s1.
What are the key properties of 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid?
2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 352.43 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 59074826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).