ethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate

C15H27NO3 — CID 167362743

IUPACethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESCCCCCCC1(C(=O)OCC)CC(C(C)C)=NO1
InChIInChI=1S/C15H27NO3/c1-5-7-8-9-10-15(14(17)18-6-2)11-13(12(3)4)16-19-15/h12H,5-11H2,1-4H3
InChIKeyWUICJUIYCCNIEW-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.69
Rot. Bonds8

About ethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate

ethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (PubChem CID 167362743) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
PubChem CID167362743
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESCCCCCCC1(C(=O)OCC)CC(C(C)C)=NO1
InChIInChI=1S/C15H27NO3/c1-5-7-8-9-10-15(14(17)18-6-2)11-13(12(3)4)16-19-15/h12H,5-11H2,1-4H3
InChIKeyWUICJUIYCCNIEW-UHFFFAOYSA-N
XLogP3.69
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (CID 167362743) is ethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is CCCCCCC1(C(=O)OCC)CC(C(C)C)=NO1.
What is the InChIKey of ethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is WUICJUIYCCNIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-7-8-9-10-15(14(17)18-6-2)11-13(12(3)4)16-19-15/h12H,5-11H2,1-4H3.
What are the key properties of ethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
ethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hexyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 167362743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).