ethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole

C14H27NO — CID 143344555

IUPACethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole
SMILESCC.CC.CC/C(C)=C/c1ncoc1CC
InChIInChI=1S/C10H15NO.2C2H6/c1-4-8(3)6-9-10(5-2)12-7-11-9;2*1-2/h6-7H,4-5H2,1-3H3;2*1-2H3/b8-6+;;
InChIKeyLZNKWSXMDGVILY-OVGXCEQFSA-N
MW225.38 g/mol
LogP5.10
Rot. Bonds3

About ethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole

ethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole (PubChem CID 143344555) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole.

Molecular Properties

Compound Nameethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole
PubChem CID143344555
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nameethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole
SMILESCC.CC.CC/C(C)=C/c1ncoc1CC
InChIInChI=1S/C10H15NO.2C2H6/c1-4-8(3)6-9-10(5-2)12-7-11-9;2*1-2/h6-7H,4-5H2,1-3H3;2*1-2H3/b8-6+;;
InChIKeyLZNKWSXMDGVILY-OVGXCEQFSA-N
XLogP5.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500225.38
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole?
The IUPAC name of ethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole (CID 143344555) is ethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole.
What is the SMILES notation for ethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole?
The canonical SMILES for ethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole is CC.CC.CC/C(C)=C/c1ncoc1CC.
What is the InChIKey of ethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole?
The InChIKey is LZNKWSXMDGVILY-OVGXCEQFSA-N. The full InChI is InChI=1S/C10H15NO.2C2H6/c1-4-8(3)6-9-10(5-2)12-7-11-9;2*1-2/h6-7H,4-5H2,1-3H3;2*1-2H3/b8-6+;;.
What are the key properties of ethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole?
ethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole has a molecular weight of 225.38 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-4-[(E)-2-methylbut-1-enyl]-1,3-oxazole is sourced from PubChem (CID 143344555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).