methyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate

C11H15NO4 — CID 58226219

IUPACmethyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate
SMILESCOC(=O)C1C(=O)ON=C1C1CCCCC1
InChIInChI=1S/C11H15NO4/c1-15-10(13)8-9(12-16-11(8)14)7-5-3-2-4-6-7/h7-8H,2-6H2,1H3
InChIKeyMXLXBWKRZJDKPK-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.27
Rot. Bonds2

About methyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate

methyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate (PubChem CID 58226219) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate
PubChem CID58226219
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate
SMILESCOC(=O)C1C(=O)ON=C1C1CCCCC1
InChIInChI=1S/C11H15NO4/c1-15-10(13)8-9(12-16-11(8)14)7-5-3-2-4-6-7/h7-8H,2-6H2,1H3
InChIKeyMXLXBWKRZJDKPK-UHFFFAOYSA-N
XLogP1.27
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

Diethyl 4-(hydroxyimino)cyclohexane-1,1-dicarboxylate
CID 2802957
(Z)-methyl 3-(2-(hydroxyimino)cyclohexyl)propanoate
CID 5721347
dimethyl 2-[(2E)-2-hydroxyiminocyclohexyl]propanedioate
CID 12969473
methyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate
CID 13611516
ethyl 2-[(2E)-2-hydroxyiminocyclohexyl]-3-oxobutanoate
CID 46201648
Dimethyl 2-[(4,6,6-trimethyl-4,5-dihydrooxazin-3-yl)methyl]propanedioate
CID 134972759
diethyl 2-[(2E)-2-hydroxyiminocyclohexyl]-2-methylpropanedioate
CID 146163706
diethyl 2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate
CID 146163911
diethyl 2-ethyl-2-[(2E)-2-hydroxyiminocyclopentyl]propanedioate
CID 146163984
methyl (2E)-2-cyclohexyl-2-hydroxyiminoacetate
CID 13611517
methyl 3-(cyclopentylmethyl)-5-oxo-4H-1,2-oxazole-4-carboxylate
CID 58226086
methyl 3-cyclopentyl-5-oxo-4H-1,2-oxazole-4-carboxylate
CID 58226094

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate (CID 58226219) is methyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate is COC(=O)C1C(=O)ON=C1C1CCCCC1.
What is the InChIKey of methyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate?
The InChIKey is MXLXBWKRZJDKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-10(13)8-9(12-16-11(8)14)7-5-3-2-4-6-7/h7-8H,2-6H2,1H3.
What are the key properties of methyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate?
methyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-5-oxo-4H-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 58226219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).