2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid

C19H30N2O5 — CID 59074813

IUPAC2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCCONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(C(=O)O)c(C)o1
InChIInChI=1S/C19H30N2O5/c1-3-25-21-16(22)12-15(11-7-10-14-8-5-4-6-9-14)18-20-17(19(23)24)13(2)26-18/h14-15H,3-12H2,1-2H3,(H,21,22)(H,23,24)/t15-/m1/s1
InChIKeyRUZHKCPHQMOYCA-OAHLLOKOSA-N
MW366.46 g/mol
LogP3.97
Rot. Bonds10

About 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid

2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 59074813) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID59074813
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCCONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(C(=O)O)c(C)o1
InChIInChI=1S/C19H30N2O5/c1-3-25-21-16(22)12-15(11-7-10-14-8-5-4-6-9-14)18-20-17(19(23)24)13(2)26-18/h14-15H,3-12H2,1-2H3,(H,21,22)(H,23,24)/t15-/m1/s1
InChIKeyRUZHKCPHQMOYCA-OAHLLOKOSA-N
XLogP3.97
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.97
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]-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid (CID 59074813) is 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid is CCONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(C(=O)O)c(C)o1.
What is the InChIKey of 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is RUZHKCPHQMOYCA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-3-25-21-16(22)12-15(11-7-10-14-8-5-4-6-9-14)18-20-17(19(23)24)13(2)26-18/h14-15H,3-12H2,1-2H3,(H,21,22)(H,23,24)/t15-/m1/s1.
What are the key properties of 2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid?
2-[(3R)-6-cyclohexyl-1-(ethoxyamino)-1-oxohexan-3-yl]-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 3.97, 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]-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 59074813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).