ethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate

C14H21NO4 — CID 16767214

IUPACethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)(O)CCC=C(C)C)on1
InChIInChI=1S/C14H21NO4/c1-5-18-13(16)11-9-12(19-15-11)14(4,17)8-6-7-10(2)3/h7,9,17H,5-6,8H2,1-4H3
InChIKeyKLCYWFSAMPHVCJ-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.81
Rot. Bonds6

About ethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate

ethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate (PubChem CID 16767214) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate
PubChem CID16767214
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nameethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)(O)CCC=C(C)C)on1
InChIInChI=1S/C14H21NO4/c1-5-18-13(16)11-9-12(19-15-11)14(4,17)8-6-7-10(2)3/h7,9,17H,5-6,8H2,1-4H3
InChIKeyKLCYWFSAMPHVCJ-UHFFFAOYSA-N
XLogP2.81
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate (CID 16767214) is ethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(C(C)(O)CCC=C(C)C)on1.
What is the InChIKey of ethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is KLCYWFSAMPHVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-18-13(16)11-9-12(19-15-11)14(4,17)8-6-7-10(2)3/h7,9,17H,5-6,8H2,1-4H3.
What are the key properties of ethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate?
ethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-hydroxy-6-methylhept-5-en-2-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 16767214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).